Dataset

3,4-Dichlorophenylurea; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU241857 contains the MS2 mass spectrum of 3,4-Dichlorophenylurea with the InChIkey CYESCLHCWJKRKM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H6Cl2N2O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12)
SMILES NC(=O)NC1=CC(Cl)=C(Cl)C=C1
InChI Key CYESCLHCWJKRKM-UHFFFAOYSA-N
Molecular Formula C7H6Cl2N2O
Exact Mass 203.986 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-Athens_Univ-AU241857
Version
Author
Maintainer
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MetadataPublished 2019-03-29
Related Molecule
  • (3,4-dichlorophenyl)urea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    58105184 PubChem: Thomson Pharma
    SCHEMBL112841 SureChEMBL
    2327-02-8 ACToR
    1062584 eMolecules
    MTBLC83464 Metabolights
    ZINC000000397310 ZINC
    DTXSID2041468 EPA CompTox Dashboard
    J124.917G Nikkaji
    CB9248337 ChemicalBook
    HMDB0243790 Human Metabolome Database
    CHEMBL3182746 ChEMBL
    83464 ChEBI
    16854 PubChem
    MCULE-8356846621 Mcule
    The data in this table is sourced from UniChem at EBI.