ACCESSION: MSBNK-EPA-ENTACT_AGILENT000043
RECORD_TITLE: 2-Chloro-5-nitroaniline; ESI-QTOF; MS2; CE: 40; [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 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$SPLASH: splash10-0002-9000000000-73f795a2b6db067d45b6
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  34.969401 1.428288 14
  41.003288 1.390903 13
  41.998537 2.392095 23
  45.993452 99.999999 999
  46.017261 2.210577 22
  46.029837 1.052118 10
  78.959231 3.43879 34
  88.019273 2.571722 25
  89.027098 6.70759 67
  102.970464 1.902768 19
  105.022012 2.405573 24
//