Dataset

Trifluoromethanesulphonic acid

This MassBank record with Accession MSBNK-Eawag-EQ383658 contains the MS2 mass spectrum of Trifluoromethanesulphonic acid with the InChIkey ITMCEJHCFYSIIV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)
SMILES C(F)(F)(F)S(=O)(=O)O
InChI Key ITMCEJHCFYSIIV-UHFFFAOYSA-N
Molecular Formula CHF3O3S
Exact Mass 149.960 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ383658
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:23:00.548846
MetadataModified 2025-02-09T09:59:15.195929
MetadataPublished 2021-03-16
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14772278 PubChem: Thomson Pharma
62406 PubChem
JE2SY203E8 FDA SRS
132645-03-5 ACToR
1493-13-6 ACToR
66178-41-4 ACToR
646-58-2 ACToR
484065 eMolecules
ZINC000011027584 ZINC
CB7247316 ChemicalBook
SCHEMBL295 SureChEMBL
MCULE-5133077095 Mcule
71773376 PubChem
TFS PDBe
CHEMBL1236265 ChEMBL
48511 ChEBI
DTXSID2044397 EPA CompTox Dashboard
OYIBOP CCDC
J12.301C Nikkaji
The data in this table is sourced from UniChem at EBI.