Dataset

Dichlormid; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU383302 contains the MS2 mass spectrum of Dichlormid with the InChIkey YRMLFORXOOIJDR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3-4,7H,1-2,5-6H2
SMILES C=CCN(CC=C)C(=O)C(Cl)Cl
InChI Key YRMLFORXOOIJDR-UHFFFAOYSA-N
Molecular Formula C8H11Cl2NO
Exact Mass 207.022 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-AU383302
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MetadataPublished 2016-02-22
Related Molecule
  • 2,2-dichloro-N,N-bis(prop-2-enyl)acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C18782 KEGG Ligand
    J20.075A Nikkaji
    HY-W014522 MedChemExpress
    81956 ChEBI
    ZINC000001843519 ZINC
    DTXSID4027997 EPA CompTox Dashboard
    37829 PubChem
    14773236 PubChem: Thomson Pharma
    E901J4382O FDA SRS
    37764-25-3 ACToR
    11140-95-7 ACToR
    PD164984 ProbesDrugs
    3716947 eMolecules
    MCULE-3178191432 Mcule
    CHEMBL2251310 ChEMBL
    20209047 NMRShiftDB
    SCHEMBL117463 SureChEMBL
    CB5384923 ChemicalBook
    The data in this table is sourced from UniChem at EBI.