Dataset

2`,6`-difluoro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfoanilide; LC-ESI-ITFT; MS2; CE: 35 eV; R=nominal; [M+H]+

This MassBank record with Accession MSBNK-KWR-KW105701 contains the MS2 mass spectrum of 2,6-difluoro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfoanilide with the InChIkey RXCPQSJAVKGONC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H9F2N5O2S/c1-7-5-6-19-11(15-7)16-12(17-19)22(20,21)18-10-8(13)3-2-4-9(10)14/h2-6,18H,1H3
SMILES N1(C=C2)N=C(N=C1N=C2C)S(=O)(NC(=C(F)C=C1)C(F)=C1)=O
InChI Key RXCPQSJAVKGONC-UHFFFAOYSA-N
Molecular Formula C12H9F2N5O2S
Exact Mass 325.045 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-KWR-KW105701
Version
Author
Maintainer
Language
MetadataPublished 2017-03-12
Related Molecule
  • N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.