Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C9H9N2O2.BF4/c1-2-13-9(12)7-3-5-8(11-10)6-4-7;2-1(3,4)5/h3-6H,2H2,1H3;/q+1;-1
SMILES	F[B-](F)(F)F.CCOC(=O)c1ccc(cc1)[N+]#N
InChI Key	IRICWKXXVNWCQU-UHFFFAOYSA-N
Molecular Formula	C9H9BF4N2O2
Exact Mass	263.985 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IRICWKXXVNWCQU-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/IRICWKXXVNWCQU-UHFFFAOYSA-N/CHMO0000563
Version
Author	Christoph Zippel
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2020-01-02
Related Molecule

Field	Value
Measurement Technique	fast-atom bombardment mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
16169479	PubChem: Thomson Pharma
11097406	PubChem
The data in this table is sourced from UniChem at EBI.