Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C16H20ClF4N3O2/c1-9(2)24(10(3)4)23-22-13-7-6-11(17)8-12(13)15(18,14(25)26-5)16(19,20)21/h6-10H,1-5H3/b23-22+
SMILES	COC(=O)C(C(F)(F)F)(c1cc(Cl)ccc1/N=N/N(C(C)C)C(C)C)F
InChI Key	IKHYFLZINIMZLK-GHVJWSGMSA-N
Molecular Formula	C16H20ClF4N3O2
Exact Mass	397.796 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IKHYFLZINIMZLK-GHVJWSGMSA-N/Mass/EI
License URL
Source	https://www.chemotion-repository.net/inchikey/IKHYFLZINIMZLK-GHVJWSGMSA-N/Mass/EI
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:43:01.474135
MetadataModified	2024-09-07T13:00:47.776309
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J3.193.370F	Nikkaji
The data in this table is sourced from UniChem at EBI.