Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H10F3NO/c17-16(18,19)15(21)20-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,20,21)
SMILES	O=C(C(F)(F)F)Nc1ccccc1C#Cc1ccccc1
InChI Key	NGYWXNYZKOIHBQ-UHFFFAOYSA-N
Molecular Formula	C16H10F3NO
Exact Mass	289.252 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NGYWXNYZKOIHBQ-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source	https://www.chemotion-repository.net/inchikey/NGYWXNYZKOIHBQ-UHFFFAOYSA-N/CHMO0000470.1
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:17:50.881104
MetadataModified	2024-09-07T22:56:34.210935
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DTXSID00455551	EPA CompTox Dashboard
11109005	PubChem
J937.319E	Nikkaji
16182616	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.