Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C22H14F3NO/c23-22(24,25)19-12-6-5-11-18(19)21(27)26-20-13-7-4-10-17(20)15-14-16-8-2-1-3-9-16/h1-13H,(H,26,27)
SMILES	O=C(c1ccccc1C(F)(F)F)Nc1ccccc1C#Cc1ccccc1
InChI Key	VTMRKJSIECOFJL-UHFFFAOYSA-N
Molecular Formula	C22H14F3NO
Exact Mass	365.348 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/VTMRKJSIECOFJL-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/VTMRKJSIECOFJL-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:05:13.900760
MetadataModified	2024-09-07T23:59:07.199237
MetadataPublished	2022-12-19

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
166175712	PubChem
The data in this table is sourced from UniChem at EBI.