Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C13H11FIN/c14-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)15/h1-8,16H,9H2
SMILES	Fc1ccc(cc1)CNc1ccccc1I
InChI Key	RNGQLVKAGGXNHR-UHFFFAOYSA-N
Molecular Formula	C13H11FIN
Exact Mass	327.136 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/RNGQLVKAGGXNHR-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/RNGQLVKAGGXNHR-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:00:20.037269
MetadataModified	2024-09-07T16:25:05.563053
MetadataPublished	2020-02-03

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
28878561	PubChem
ZINC000020360847	ZINC
The data in this table is sourced from UniChem at EBI.