Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

dataset for high-resolution electrospray ionisation mass spectrometry (HRESIMS)

Chemical Information

molecular Image
InChI InChI=1S/C18H14Cl2O/c1-11-15(6-7-18(11)21)17-5-3-2-4-16(17)12-8-13(19)10-14(20)9-12/h2-5,8-10H,6-7H2,1H3
SMILES Clc1cc(Cl)cc(c1)c1ccccc1C1=C(C)C(=O)CC1
InChI Key SKADOJKIWVTADK-UHFFFAOYSA-N
Exact Mass 317.209 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SKADOJKIWVTADK-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/SKADOJKIWVTADK-UHFFFAOYSA-N/CHMO0000485
Version
Author Thorsten Bach
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-24
Related Molecule
  • nfdi4chem-mol4433 (Unknown Molecule)
    • Field Value
    Measurement Technique high-resolution electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.