Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H7BrF3NS/c15-10-4-1-8(2-5-10)13-19-11-7-9(14(16,17)18)3-6-12(11)20-13/h1-7H
SMILES	Brc1ccc(cc1)c1nc2c(s1)ccc(c2)C(F)(F)F
InChI Key	DUCUXKNIVNHGGQ-UHFFFAOYSA-N
Molecular Formula	C14H7BrF3NS
Exact Mass	358.176 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/DUCUXKNIVNHGGQ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/DUCUXKNIVNHGGQ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Jana Barylko
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:12:09.386110
MetadataModified	2024-09-07T19:19:53.674000
MetadataPublished	2020-11-26
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
11314325	PubChem
16403539	PubChem: Thomson Pharma
J1.730.172A	Nikkaji
The data in this table is sourced from UniChem at EBI.