Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C11H9F3O2/c1-16-10(15)9-4-2-8(3-5-9)6-7-11(12,13)14/h2-7H,1H3/b7-6-
SMILES	COC(=O)c1ccc(cc1)/C=C\C(F)(F)F
InChI Key	PMZMRRQEKAKDDJ-SREVYHEPSA-N
Molecular Formula	C11H9F3O2
Exact Mass	230.183 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PMZMRRQEKAKDDJ-SREVYHEPSA-N/Mass/EI
License URL
Source	https://www.chemotion-repository.net/inchikey/PMZMRRQEKAKDDJ-SREVYHEPSA-N/Mass/EI
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:31:55.483963
MetadataModified	2024-09-07T12:44:15.016270
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
73427432	PubChem
J3.259.720C	Nikkaji
The data in this table is sourced from UniChem at EBI.