Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C20H14F15N/c1-9-13(2,3)11-8-10(4-5-12(11)36-9)6-7-14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)35/h4-8H,1-3H3/b7-6+
SMILES	CC1=Nc2c(C1(C)C)cc(cc2)/C=C/C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key	ZUUYGWSDFRSKRQ-VOTSOKGWSA-N
Molecular Formula	C20H14F15N
Exact Mass	553.308 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/ZUUYGWSDFRSKRQ-VOTSOKGWSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/ZUUYGWSDFRSKRQ-VOTSOKGWSA-N/CHMO0000470
Version
Author	Alex Braun
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:48:56.003243
MetadataModified	2024-09-07T16:09:31.153934
MetadataPublished	2019-11-06

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
139593333	PubChem
The data in this table is sourced from UniChem at EBI.