ACCESSION: MSBNK-EPA-ENTACT_AGILENT000876
RECORD_TITLE: 2,2',5,5'-Tetrachlorobenzidine; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,2',5,5'-Tetrachlorobenzidine
CH$NAME: DTXSID7021314
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₈Cl₄N₂
CH$EXACT_MASS: 319.94415911
CH$SMILES: NC1C=C(Cl)C(=CC=1Cl)C1C=C(Cl)C(N)=CC=1Cl
CH$IUPAC: InChI=1S/C12H8Cl4N2/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H,17-18H2
CH$LINK: CAS 15721-02-5
CH$LINK: INCHIKEY UXOXUHMFQZEAFR-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:27465

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$FOCUSED_ION: PRECURSOR_M/Z 318.9368826583
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014i-1049000000-22dfdac8eb99878cc999
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  34.969401 15.27843 152
  211.006849 1.362813 13
  245.975702 4.036771 40
  246.960205 1.47871 14
  246.983527 14.568607 145
  281.95238 1.347946 13
  282.960205 26.542075 265
  318.936883 99.999998 999
//