CID 17997936

N-(2,6-difluorophenyl)-1h-1,2,4-triazole-5-sulfonamide

Structural Information

Molecular Formula
C8H6F2N4O2S
SMILES
C1=CC(=C(C(=C1)F)NS(=O)(=O)C2=NC=NN2)F
InChI
InChI=1S/C8H6F2N4O2S/c9-5-2-1-3-6(10)7(5)14-17(15,16)8-11-4-12-13-8/h1-4,14H,(H,11,12,13)
InChIKey
JUDUAPGNNYFUFY-UHFFFAOYSA-N
Compound name
N-(2,6-difluorophenyl)-1H-1,2,4-triazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1
Patents

260.01794 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.02522 149.7
[M+Na]+ 283.00716 160.6
[M-H]- 259.01066 149.9
[M+NH4]+ 278.05176 163.9
[M+K]+ 298.98110 155.3
[M+H-H2O]+ 243.01520 140.5
[M+HCOO]- 305.01614 164.5
[M+CH3COO]- 319.03179 188.9
[M+Na-2H]- 280.99261 153.4
[M]+ 260.01739 148.3
[M]- 260.01849 148.3
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

patents stripe