Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C22H10F15NO/c23-16(24,15(39)38-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37/h1-9H,(H,38,39)
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)Nc1ccccc1C#Cc1ccccc1
InChI Key	DIDKXVVGRDFZNL-UHFFFAOYSA-N
Molecular Formula	C22H10F15NO
Exact Mass	589.297 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/DIDKXVVGRDFZNL-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/DIDKXVVGRDFZNL-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:36:29.977482
MetadataModified	2024-09-07T23:21:26.576408
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
164889697	PubChem
The data in this table is sourced from UniChem at EBI.