Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C21H10F5NO/c22-16-15(17(23)19(25)20(26)18(16)24)21(28)27-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,27,28)
SMILES	O=C(c1c(F)c(F)c(c(c1F)F)F)Nc1ccccc1C#Cc1ccccc1
InChI Key	YUWYOBXUKKDKQP-UHFFFAOYSA-N
Molecular Formula	C21H10F5NO
Exact Mass	387.302 g/mol

Data and Resources

• mass spectrometry (MS)HTML
  Explore

  • More information
  • Go to resource

• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YUWYOBXUKKDKQP-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/YUWYOBXUKKDKQP-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:17:10.253172
MetadataModified	2024-09-07T22:55:42.021167
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
164889692	PubChem
The data in this table is sourced from UniChem at EBI.