Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C13H8ClFN2/c14-11-2-1-7-17-8-12(16-13(11)17)9-3-5-10(15)6-4-9/h1-8H
SMILES Fc1ccc(cc1)c1cn2c(n1)c(Cl)ccc2
InChI Key PGCCRJVQXFSFNG-UHFFFAOYSA-N
Molecular Formula C13H8ClFN2
Exact Mass 246.667 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PGCCRJVQXFSFNG-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/PGCCRJVQXFSFNG-UHFFFAOYSA-N/CHMO0000470
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-03-03
Related Molecule
  • 8-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    17976285 PubChem
    DTXSID30591855 EPA CompTox Dashboard
    J1.897.473H Nikkaji
    ZINC000071255961 ZINC
    SCHEMBL5739105 SureChEMBL
    The data in this table is sourced from UniChem at EBI.