Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C13H9ClN2S/c1-8-2-3-10-11(6-8)17-13(16-10)9-4-5-15-12(14)7-9/h2-7H,1H3
SMILES Cc1ccc2c(c1)sc(n2)c1ccnc(c1)Cl
InChI Key ORVHFNYZXLMSAN-UHFFFAOYSA-N
Molecular Formula C13H9ClN2S
Exact Mass 260.742 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ORVHFNYZXLMSAN-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source https://www.chemotion-repository.net/inchikey/ORVHFNYZXLMSAN-UHFFFAOYSA-N/CHMO0000470.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 2-(2-chloropyridin-4-yl)-6-methyl-1,3-benzothiazole
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145944367 pubchem
    The data in this table is sourced from UniChem at EBI.