ACCESSION: MSBNK-AGILENT-AG000037
RECORD_TITLE: Acifluorfen; ESI-QTOF; MS2; CE: 20; [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 20

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

PK$SPLASH: splash10-00ko-0893000000-a59c59a78a3962a9ebdf
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  79.018938 1.134337 11
  107.013853 1.272225 12
  123.008768 1.147974 11
  137.011842 15.209872 151
  174.976772 1.112151 11
  194.983001 100 999
  222.029798 48.815876 487
  235.022367 1.063381 10
  250.024713 2.792224 27
  258.006476 1.552337 15
  284.993565 2.364846 23
  286.00139 74.027113 739
  315.999379 52.562034 525
//