ACCESSION: MSBNK-EPA-ENTACT_AGILENT000543
RECORD_TITLE: 4-Chloro-3-nitroaniline; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Chloro-3-nitroaniline
CH$NAME: DTXSID7052319
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅ClN₂O₂
CH$EXACT_MASS: 172.0039551289
CH$SMILES: NC1=CC(=C(Cl)C=C1)[N+]([O-])=O
CH$IUPAC: InChI=1S/C6H5ClN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2
CH$LINK: CAS 635-22-3
CH$LINK: INCHIKEY FOHHWGVAOVDVLP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:12477

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$FOCUSED_ION: PRECURSOR_M/Z 170.9966786772
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-9000000000-519daa80dedf6db88efe
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  34.969401 3.025623 30
  41.998537 1.663539 16
  45.993452 100.000001 999
  46.017261 2.207557 22
  46.029837 1.267617 12
//