Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C10H11ClS2/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h2-5,10H,1,6-7H2
SMILES Clc1ccc(cc1)C1SCCCS1
InChI Key DMMIKGLVFJCJDY-UHFFFAOYSA-N
Molecular Formula C10H11ClS2
Exact Mass 230.777 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DMMIKGLVFJCJDY-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/DMMIKGLVFJCJDY-UHFFFAOYSA-N/CHMO0000480
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-05-27
Related Molecule
  • 2-(4-chlorophenyl)-1,3-dithiane
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID80145923 EPA CompTox Dashboard
    UPAFIC CCDC
    J711.178I Nikkaji
    ZINC000002023553 ZINC
    16046555 PubChem: Thomson Pharma
    SCHEMBL5434824 SureChEMBL
    10359-09-8 ACToR
    25199 PubChem
    The data in this table is sourced from UniChem at EBI.