Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C30H18F15NO/c1-16-9-5-6-12-18(16)15-46-20-14-8-7-13-19(20)21(22(46)17-10-3-2-4-11-17)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-14H,15H2,1H3
SMILES	O=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1c(c2ccccc2)n(c2c1cccc2)Cc1ccccc1C
InChI Key	KTPIZOYTZMBWTA-UHFFFAOYSA-N
Molecular Formula	C30H18F15NO
Exact Mass	693.446 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/KTPIZOYTZMBWTA-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/KTPIZOYTZMBWTA-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:27:50.659774
MetadataModified	2024-09-07T23:10:04.917482
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
164889703	PubChem
The data in this table is sourced from UniChem at EBI.