Dataset

electrospray ionisation quadrupole detection (ESI Q Trap)

dataset for electrospray ionisation quadrupole detection (ESI Q Trap)

Chemical Information

molecular Image
InChI InChI=1S/C14H14O2S/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
SMILES Cc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C
InChI Key WEAYCYAIVOIUMG-UHFFFAOYSA-N
Exact Mass 246.325 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WEAYCYAIVOIUMG-UHFFFAOYSA-N/CHMO0002337
License URL
Source https://www.chemotion-repository.net/inchikey/WEAYCYAIVOIUMG-UHFFFAOYSA-N/CHMO0002337
Version
Author José Carlos Ferreira da Cunha
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-01-20
Related Molecule
Field Value
Measurement Technique electrospray ionisation quadrupole detection
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID5060518 EPA CompTox Dashboard
QIBQOH CCDC
CB4210559 ChemicalBook
J43.532E Nikkaji
ZINC000000133397 ZINC
CHEMBL220009 ChEMBL
MCULE-2875100041 Mcule
SCHEMBL170033 SureChEMBL
10023956 NMRShiftDB
599-66-6 ACToR
15416216 PubChem: Thomson Pharma
69030 PubChem
504004 eMolecules
The data in this table is sourced from UniChem at EBI.