ACCESSION: MSBNK-AGILENT-AG000004
RECORD_TITLE: Hexaflumuron; ESI-QTOF; MS2; CE: 40; [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 40

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

PK$SPLASH: splash10-00di-1910000000-6ef8268efd1785883ee8
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  68.995758 4.306271 43
  71.050238 1.651803 16
  80.962305 1.57686 15
  93.014602 8.607537 85
  96.990673 7.359179 73
  112.985587 2.381465 23
  113.02083 8.685844 86
  116.996901 1.467589 14
  130.965379 1.023909 10
  134.940994 1.052297 10
  136.019114 1.769798 17
  174.959231 100.000004 999
  185.951893 6.663681 66
  199.953665 13.100811 130
  201.944363 1.926223 19
  235.947397 1.046211 10
  255.953784 4.087151 40
  257.999521 1.247407 12
  275.957333 2.830874 28
  284.985468 2.336479 23
  293.97172 1.452439 14
  294.959072 6.072983 60
//