Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C9H10F3O3P/c1-14-16(13,15-2)8-5-3-7(4-6-8)9(10,11)12/h3-6H,1-2H3
SMILES COP(=O)(c1ccc(cc1)C(F)(F)F)OC
InChI Key MCZBOCRWDQOCCV-UHFFFAOYSA-N
Molecular Formula C9H10F3O3P
Exact Mass 254.143 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MCZBOCRWDQOCCV-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/MCZBOCRWDQOCCV-UHFFFAOYSA-N/CHMO0000480
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:44:51.090371
MetadataModified 2024-09-07T21:18:59.805337
MetadataPublished 2022-01-21
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL4636384 ChEMBL
J1.901.740K Nikkaji
85828999 PubChem
The data in this table is sourced from UniChem at EBI.