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]+ 346.02162 170.2
[M+Na]+ 368.00356 184.8
[M-H]- 344.00706 170.0
[M+NH4]+ 363.04816 181.1
[M+K]+ 383.97750 177.2
[M+H-H2O]+ 328.01160 160.1
[M+HCOO]- 390.01254 183.1
[M+CH3COO]- 404.02819 206.3
[M+Na-2H]- 365.98901 174.2
[M]+ 345.01379 171.7
[M]- 345.01489 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.