CID 135565010

5-hydroxy-florasulam

Structural Information

Molecular Formula
C11H6F3N5O3S
SMILES
C1=CC(=C(C(=C1)F)NS(=O)(=O)C2=NN3C(=N2)C(=CNC3=O)F)F
InChI
InChI=1S/C11H6F3N5O3S/c12-5-2-1-3-6(13)8(5)18-23(21,22)10-16-9-7(14)4-15-11(20)19(9)17-10/h1-4,18H,(H,15,20)
InChIKey
SRUUFTKDDLWBQI-UHFFFAOYSA-N
Compound name
N-(2,6-difluorophenyl)-8-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

345.01434 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.021616 170.2
[M+Na]+ 368.003558 184.8
[M-H]- 344.007064 170.0
[M+NH4]+ 363.048163 181.1
[M+K]+ 383.977498 177.2
[M+H-H2O]+ 328.011600 160.1
[M+HCOO]- 390.012541 183.1
[M+CH3COO]- 404.028191 206.3
[M+Na-2H]- 365.989006 174.2
[M]+ 345.01379142 171.7
[M]- 345.01488858 171.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.