Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Info

molecular Image
InChI InChI=1S/C20H6F8N8/c21-11-9(12(22)16(26)19(15(11)25)33-35-29)5-31-7-1-2-8(4-3-7)32-6-10-13(23)17(27)20(34-36-30)18(28)14(10)24/h1-6H/b31-5+,32-6+
SMILES Fc1c(/C=N/c2ccc(cc2)/N=C/c2c(F)c(F)c(c(c2F)F)N=[N+]=[N-])c(F)c(c(c1F)N=[N+]=[N-])F
InChI Key IPBROAUZYSQGDN-JHSDGAPCSA-N
Molecular Formula C20H6F8N8
Exact Mass 510.302 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IPBROAUZYSQGDN-JHSDGAPCSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/IPBROAUZYSQGDN-JHSDGAPCSA-N/CHMO0000498
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-05
Related Molecule
  • nfdi4chem-mol1620 (Unknown Molecule)
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.