Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C28H25F6N3O2S/c29-27(30,31)20-15-19(16-21(17-20)28(32,33)34)18-35-25(38)11-6-12-37-24-10-5-4-9-23(24)36-26(37)40-14-13-39-22-7-2-1-3-8-22/h1-5,7-10,15-17H,6,11-14,18H2,(H,35,38)
SMILES O=C(NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)CCCn1c(SCCOc2ccccc2)nc2c1cccc2
InChI Key LBBYPGBSROMMJI-UHFFFAOYSA-N
Molecular Formula C28H25F6N3O2S
Exact Mass 581.572 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LBBYPGBSROMMJI-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/LBBYPGBSROMMJI-UHFFFAOYSA-N/Mass/EI.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-10-31
Related Molecule
  • N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]butanamide
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    92042812 pubchem
    The data in this table is sourced from UniChem at EBI.