CID 112547852

3-bromo-1,5-dimethyl-1h-pyrazole-4-sulfonamide

Structural Information

Molecular Formula
C5H8BrN3O2S
SMILES
CC1=C(C(=NN1C)Br)S(=O)(=O)N
InChI
InChI=1S/C5H8BrN3O2S/c1-3-4(12(7,10)11)5(6)8-9(3)2/h1-2H3,(H2,7,10,11)
InChIKey
ODYPOXDBLQNIDW-UHFFFAOYSA-N
Compound name
3-bromo-1,5-dimethylpyrazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.95206 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.95934 135.9
[M+Na]+ 275.94128 151.1
[M-H]- 251.94478 140.8
[M+NH4]+ 270.98588 156.7
[M+K]+ 291.91522 139.3
[M+H-H2O]+ 235.94932 135.9
[M+HCOO]- 297.95026 152.2
[M+CH3COO]- 311.96591 189.1
[M+Na-2H]- 273.92673 140.5
[M]+ 252.95151 156.9
[M]- 252.95261 156.9
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.