Dataset

4-Chloroaniline; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF413804 contains the MS2 mass spectrum of 4-Chloroaniline with the InChIkey QSNSCYSYFYORTR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
SMILES NC1=CC=C(Cl)C=C1
InChI Key QSNSCYSYFYORTR-UHFFFAOYSA-N
Molecular Formula C6H6ClN
Exact Mass 127.019 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-UF413804
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MetadataPublished 2017-01-05
Related Molecule
  • 4-chloroaniline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:20331 chebi
    CHEMBL15888 chembl
    27544 surechembl
    7812 pubchem
    CLANIC CCDC
    104981 brenda
    106955 brenda
    188817 brenda
    3602 brenda
    Z553SGH315 fdasrs
    HMDB0246391 hmdb
    50727933 bindingdb
    50991645 bindingdb
    Molport-000-871-529 molport
    The data in this table is sourced from UniChem at EBI.