ACCESSION: MSBNK-EPA-ENTACT_AGILENT000044
RECORD_TITLE: 2-Chloro-5-nitroaniline; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-052b-9800000000-166d4c3602b3d5206bc7
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  34.969401 2.429654 24
  41.998537 1.771678 17
  45.993452 100.000002 999
  46.017261 1.843258 18
  50.003623 1.114574 11
  64.006697 1.033847 10
  65.014522 2.83096 28
  78.022347 1.166527 11
  89.027098 3.660606 36
  92.014187 2.14719 21
  102.970464 3.145035 31
  105.022012 64.116864 640
  135.020001 39.172686 391
  140.99869 2.722616 27
  170.996679 8.065988 80
//