ACCESSION: MSBNK-EPA-ENTACT_AGILENT000725
RECORD_TITLE: 4'-Chloroacetoacetanilide; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4'-Chloroacetoacetanilide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀ClNO₂
CH$EXACT_MASS: 211.040006281
CH$SMILES: CC(=O)CC(=O)NC1C=CC(Cl)=CC=1
CH$IUPAC: InChI=1S/C10H10ClNO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14)
CH$LINK: CAS 101-92-8
CH$LINK: INCHIKEY JMRJWEJJUKUBEA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7587

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$FOCUSED_ION: PRECURSOR_M/Z 210.0327298293
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a7i-9200000000-77f5d0ad61892e3805af
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  34.969401 3.553024 35
  41.003288 7.336255 73
  57.034588 100.000003 999
  57.058398 2.5851 25
  57.070974 1.483102 14
  83.013853 76.591461 765
  83.050238 1.654918 16
  126.0116 51.986709 519
//