Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C13H11F6NOS/c14-12(15,16)8-1-9(13(17,18)19)3-10(2-8)22(20,21)11-4-7(5-11)6-11/h1-3,7,20H,4-6H2
SMILES	FC(c1cc(cc(c1)C(F)(F)F)S(=O)(=N)C12CC(C1)C2)(F)F
InChI Key	DMHUHEHJOBWIMO-UHFFFAOYSA-N
Molecular Formula	C13H11F6NOS
Exact Mass	343.288 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DMHUHEHJOBWIMO-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/DMHUHEHJOBWIMO-UHFFFAOYSA-N/CHMO0000470
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:21:05.335558
MetadataModified	2024-09-07T16:52:07.284357
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145926391	PubChem
The data in this table is sourced from UniChem at EBI.