ACCESSION: MSBNK-AGILENT-AG000038
RECORD_TITLE: Acifluorfen; ESI-QTOF; MS2; CE: 40; [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 40

MS$FOCUSED_ION: PRECURSOR_M/Z 359.9892082005
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0006-0910000000-a1c8bf5a0a83077b8172
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  79.019425 6.731441 67
  107.01434 2.646156 26
  137.011842 3.295275 32
  159.00518 1.501562 15
  174.97563 7.754249 77
  194.983001 100 999
  202.02357 1.942459 19
  222.029798 17.543535 175
  284.989055 1.135216 11
//