Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C13H10F6S/c14-12(15,16)8-1-9(13(17,18)19)3-10(2-8)20-11-4-7(5-11)6-11/h1-3,7H,4-6H2
SMILES FC(c1cc(SC23CC(C2)C3)cc(c1)C(F)(F)F)(F)F
InChI Key IAAVPEBEKXNFBU-UHFFFAOYSA-N
Molecular Formula C13H10F6S
Exact Mass 312.274 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IAAVPEBEKXNFBU-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/IAAVPEBEKXNFBU-UHFFFAOYSA-N/CHMO0000470
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:22:32.002221
MetadataModified 2024-09-07T16:53:36.822455
MetadataPublished 2020-02-17
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
145926364 PubChem
The data in this table is sourced from UniChem at EBI.