ACCESSION: MSBNK-AGILENT-AG000006
RECORD_TITLE: Hexaflumuron; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY

CH$NAME: Hexaflumuron
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₈Cl₂F₆N₂O₃
CH$EXACT_MASS: 459.98162
CH$SMILES: O=C(NC(=O)NC1C=C(Cl)C(OC(F)(F)C(F)F)=C(Cl)C=1)C1C(F)=CC=CC=1F
CH$IUPAC: InChI=1S/C16H8Cl2F6N2O3/c17-7-4-6(5-8(18)12(7)29-16(23,24)14(21)22)25-15(28)26-13(27)11-9(19)2-1-3-10(11)20/h1-5,14H,(H2,25,26,27,28)
CH$LINK: CAS 86479-06-3
CH$LINK: CHEMSPIDER 82839
CH$LINK: INCHIKEY RGNPBRKPHBKNKX-UHFFFAOYSA-N

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 458.9743403052
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0f79-0453900000-80e6c95d9b2d8cdd7948
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  68.995758 1.127313 11
  73.029503 1.102718 11
  80.995758 1.427857 14
  96.990673 6.451588 64
  99.043851 1.387978 13
  112.984932 4.50924 45
  113.02083 2.410811 24
  116.995758 4.436971 44
  136.020416 4.784792 47
  139.006362 1.386976 13
  156.025501 4.936724 49
  173.951893 1.24904 12
  174.959231 26.392745 263
  174.994929 1.023768 10
  185.950591 2.068814 20
  199.954321 2.531783 25
  201.946161 2.490679 24
  255.951104 6.660294 66
  257.998865 2.689661 26
  275.959526 44.347107 443
  284.985955 4.967191 49
  293.975712 3.238766 32
  294.960373 3.848101 38
  300.952582 14.158209 141
  301.988239 20.513251 204
  337.969395 1.043763 10
  382.979426 1.66743 16
  395.962298 7.36618 73
  402.991434 17.687636 176
  415.968527 1.367969 13
  422.997663 3.611483 36
  438.968112 100.000003 999
//