Dataset

3,3`-dichlorobenzidine; ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UA004901 contains the MS2 mass spectrum of 3,3`-dichlorobenzidine with the InChIkey HUWXDEQWWKGHRV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2
SMILES Clc2cc(c1ccc(N)c(Cl)c1)ccc2N
InChI Key HUWXDEQWWKGHRV-UHFFFAOYSA-N
Molecular Formula C12H10Cl2N2
Exact Mass 252.022 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UA004901
Version
Author
Maintainer
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MetadataPublished 2014-06-24
Related Molecule
  • 4-(4-amino-3-chlorophenyl)-2-chloroaniline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:82315 chebi
    CHEMBL314470 chembl
    29365311 surechembl
    49382 surechembl
    7070 pubchem
    1SDI2328UX fdasrs
    ACLBPH CCDC
    HMDB0245999 hmdb
    Molport-003-941-217 molport
    The data in this table is sourced from UniChem at EBI.