Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C13H4F5N/c14-9-8(7-3-1-6(5-19)2-4-7)10(15)12(17)13(18)11(9)16/h1-4H
SMILES	N#Cc1ccc(cc1)c1c(F)c(F)c(c(c1F)F)F
InChI Key	LHUKISKVNWDUAO-UHFFFAOYSA-N
Molecular Formula	C13H4F5N
Exact Mass	269.170 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/LHUKISKVNWDUAO-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/LHUKISKVNWDUAO-UHFFFAOYSA-N/CHMO0000470
Version
Author	Céline Leonhardt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:21:28.306288
MetadataModified	2024-09-08T03:21:28.306296
MetadataPublished	2024-04-22

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL4147130	SureChEMBL
49712516	PubChem: Thomson Pharma
J940.916E	Nikkaji
20099990	PubChem
The data in this table is sourced from UniChem at EBI.