Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H11F3IN/c15-14(16,17)11-7-5-10(6-8-11)9-19-13-4-2-1-3-12(13)18/h1-8,19H,9H2
SMILES	Ic1ccccc1NCc1ccc(cc1)C(F)(F)F
InChI Key	LETIJSOCWBFPLK-UHFFFAOYSA-N
Molecular Formula	C14H11F3IN
Exact Mass	377.144 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/LETIJSOCWBFPLK-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/LETIJSOCWBFPLK-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:00:26.302699
MetadataModified	2024-09-07T16:25:24.638199
MetadataPublished	2020-02-03

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
28978200	PubChem
The data in this table is sourced from UniChem at EBI.