ACCESSION: MSBNK-EPA-ENTACT_AGILENT001940
RECORD_TITLE: CP-100829; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: CP-100829
CH$NAME: DTXSID7047304
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₇Cl₂FN₂O₃S
CH$EXACT_MASS: 371.953846455
CH$SMILES: NC(=O)N1C2C=C(Cl)C(F)=CC=2C(C(=O)C2=CC(Cl)=CS2)C1=O
CH$IUPAC: InChI=1S/C14H7Cl2FN2O3S/c15-5-1-10(23-4-5)12(20)11-6-2-8(17)7(16)3-9(6)19(13(11)21)14(18)22/h1-4,11H,(H2,18,22)
CH$LINK: CAS 135080-03-4
CH$LINK: INCHIKEY TVBUSVDXSSKDSK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9885850

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$FOCUSED_ION: PRECURSOR_M/Z 370.9465700033
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-0290000000-a79a01e050cd52cfaf5b
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  116.957122 3.41397 34
  118.009851 1.411174 14
  153.986529 13.909443 138
  181.98193 5.939453 59
  209.976845 100 999
  210.032243 5.428864 54
  247.974249 1.291885 12
  283.950927 1.070494 10
  327.940756 2.241219 22
//