Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C17H9F6N5O/c18-16(19,20)10-7-5-9(6-8-10)15(29)27-11-3-1-2-4-12(11)28-14(24-25-26-28)13(27)17(21,22)23/h1-8,13H
SMILES O=C(N1c2ccccc2-n2c(C1C(F)(F)F)nnn2)c1ccc(cc1)C(F)(F)F
InChI Key ZFCKSTVDKREDDB-UHFFFAOYSA-N
Exact Mass 413.277 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZFCKSTVDKREDDB-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/ZFCKSTVDKREDDB-UHFFFAOYSA-N/CHMO0000470
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • [4-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)-4H-tetrazolo[1,5-a]quinoxalin-5-yl]methanone
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.