Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C8H4Cl2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H
SMILES Clc1nc2ccccc2nc1Cl
InChI Key SPSSDDOTEZKOOV-UHFFFAOYSA-N
Molecular Formula C8H4Cl2N2
Exact Mass 199.037 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SPSSDDOTEZKOOV-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source https://www.chemotion-repository.net/inchikey/SPSSDDOTEZKOOV-UHFFFAOYSA-N/CHMO0000470.1
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-10-25
Related Molecule
  • 2,3-dichloroquinoxaline
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2213-63-0 ACToR
    16143407 PubChem: Thomson Pharma
    16659 PubChem
    481909 eMolecules
    CB5414800 ChemicalBook
    MCULE-8035003090 Mcule
    SCHEMBL116696 SureChEMBL
    20208578 NMRShiftDB
    CHEMBL445957 ChEMBL
    J48.372I Nikkaji
    EGOSOK CCDC
    DTXSID1025013 EPA CompTox Dashboard
    ZINC000000119521 ZINC
    The data in this table is sourced from UniChem at EBI.