Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C18H17F9N.HI/c1-10-14(2,3)12-9-11(5-6-13(12)28(10)4)7-8-15(19,20)16(21,22)17(23,24)18(25,26)27;/h5-9H,1-4H3;1H/q+1;/p-1/b8-7+;
SMILES	C[N+]1=C(C)C(c2c1ccc(c2)/C=C/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C)C.[I-]
InChI Key	YEYQPMMYRPDCKG-USRGLUTNSA-M
Molecular Formula	C18H17F9IN
Exact Mass	545.224 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/SDCBGOXPGPFLQR-USRGLUTNSA-M/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/SDCBGOXPGPFLQR-USRGLUTNSA-M/CHMO0000470
Version
Author	Alex Braun
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:49:08.596835
MetadataModified	2024-09-07T16:09:47.947416
MetadataPublished	2019-11-06

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.