ACCESSION: MSBNK-EPA-ENTACT_AGILENT000045
RECORD_TITLE: 2-Chloro-5-nitroaniline; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Chloro-5-nitroaniline
CH$NAME: DTXSID6038827
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅ClN₂O₂
CH$EXACT_MASS: 172.0039551289
CH$SMILES: NC1=CC(=CC=C1Cl)[N+]([O-])=O
CH$IUPAC: InChI=1S/C6H5ClN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2
CH$LINK: CAS 6283-25-6
CH$LINK: INCHIKEY KWIXNFOTNVKIGM-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:22691

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 10

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$SPLASH: splash10-00di-1900000000-7cdd8c0f5618e4669597
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  34.969401 1.674927 16
  41.998537 1.064185 10
  45.993452 18.020191 180
  78.022347 1.907412 19
  92.014187 1.419143 14
  105.022012 17.643279 176
  135.020001 42.622428 425
  140.99869 6.227714 62
  170.996679 100.000003 999
//