MassBank Record: MSBNK-AGILENT-AG000039
ACCESSION: MSBNK-AGILENT-AG000039
RECORD_TITLE: Acifluorfen; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY
CH$NAME: Acifluorfen
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H7ClF3NO5
CH$EXACT_MASS: 360.99648
CH$SMILES: [O-][N+](=O)C1C=CC(=CC=1C(O)=O)OC1=CC=C(C=C1Cl)C(F)(F)F
CH$IUPAC: InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)
CH$LINK: CAS
50594-66-6
CH$LINK: CHEMSPIDER
40113
CH$LINK: INCHIKEY
NUFNQYOELLVIPL-UHFFFAOYSA-N
AC$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$MASS_SPECTROMETRY: COLLISION_ENERGY 10
MS$FOCUSED_ION: PRECURSOR_M/Z 359.9892082005
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-0029000000-103fedb75308e7daa55d
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
137.011842 1.277078 12
194.983001 7.980122 79
222.029798 3.326873 33
286.00139 20.040633 200
315.999379 100 999
359.989208 3.225613 32
//