Dataset

3,5-Dichloroaniline; LC-ESI-QTOF; MS2; 10 V

This MassBank record with Accession MSBNK-BAFG-CSL23111027353 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
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111027353
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • 3,5-dichloroaniline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    43255 Brenda
    CB9402144 ChemicalBook
    OZ75ZM1S3G FDA SRS
    MCULE-9518503559 Mcule
    485802 eMolecules
    SCHEMBL127074 SureChEMBL
    626-43-7 ACToR
    15091219 PubChem: Thomson Pharma
    12281 PubChem
    10023532 NMRShiftDB
    HMDB0246050 Human Metabolome Database
    J43.173G Nikkaji
    DTXSID7030307 EPA CompTox Dashboard
    ZINC000000157609 ZINC
    WEMDUN CCDC
    CHEMBL1451208 ChEMBL
    19904 ChEBI
    The data in this table is sourced from UniChem at EBI.