CID 81341145

1-(difluoromethyl)-1h-pyrazole-4-sulfonamide

Structural Information

Molecular Formula
C4H5F2N3O2S
SMILES
C1=C(C=NN1C(F)F)S(=O)(=O)N
InChI
InChI=1S/C4H5F2N3O2S/c5-4(6)9-2-3(1-8-9)12(7,10)11/h1-2,4H,(H2,7,10,11)
InChIKey
HOUJBEYZGVTUII-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)pyrazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.00705 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.01433 137.2
[M+Na]+ 219.99627 144.0
[M+NH4]+ 215.04087 141.9
[M+K]+ 235.97021 141.7
[M-H]- 195.99977 132.9
[M+Na-2H]- 217.98172 139.1
[M]+ 197.00650 136.7
[M]- 197.00760 136.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.