Dataset

Dicloran; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01134954 contains the MS2 mass spectrum of Dicloran with the InChIkey BIXZHMJUSMUDOQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
SMILES C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]
InChI Key BIXZHMJUSMUDOQ-UHFFFAOYSA-N
Molecular Formula C6H4Cl2N2O2
Exact Mass 205.965 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-EQ01134954
Version
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Maintainer
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MetadataPublished 2023-04-27
Related Molecule
  • 2,6-dichloro-4-nitroaniline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:27864 chebi
    CHEMBL504381 chembl
    229362 surechembl
    7430 pubchem
    F0BE9UC5J7 fdasrs
    HMDB0245510 hmdb
    The data in this table is sourced from UniChem at EBI.