Dataset

3,5-Dichloroaniline; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01134701 contains the MS2 mass spectrum of 3,5-Dichloroaniline with the InChIkey UQRLKWGPEVNVHT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
SMILES C1=C(C=C(C=C1Cl)Cl)N
InChI Key UQRLKWGPEVNVHT-UHFFFAOYSA-N
Molecular Formula C6H5Cl2N
Exact Mass 160.980 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01134701
Version
Author
Maintainer
Language
MetadataPublished 2023-04-27
Related Molecule
  • 3,5-dichloroaniline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:19904 chebi
    A1ISU rcsb_pdb
    CHEMBL1451208 chembl
    127074 surechembl
    12281 pubchem
    OZ75ZM1S3G fdasrs
    WEMDUN CCDC
    43255 brenda
    A1ISU - Ideal conformer pdbe
    HMDB0246050 hmdb
    Molport-000-145-878 molport
    The data in this table is sourced from UniChem at EBI.