Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C9H7ClN2/c1-6-9(10)12-8-5-3-2-4-7(8)11-6/h2-5H,1H3
SMILES Cc1nc2ccccc2nc1Cl
InChI Key PXDLUYLWPJMGJA-UHFFFAOYSA-N
Molecular Formula C9H7ClN2
Exact Mass 178.618 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PXDLUYLWPJMGJA-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/PXDLUYLWPJMGJA-UHFFFAOYSA-N/CHMO0000470
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-10-06
Related Molecule
  • 2-chloro-3-methylquinoxaline
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1670942 surechembl
    236276 pubchem
    CIPWOO CCDC
    Molport-000-872-147 molport
    The data in this table is sourced from UniChem at EBI.