CID 1486209

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

Structural Information

Molecular Formula
C5H8ClN3O2S
SMILES
CC1=NN(C(=C1S(=O)(=O)N)Cl)C
InChI
InChI=1S/C5H8ClN3O2S/c1-3-4(12(7,10)11)5(6)9(2)8-3/h1-2H3,(H2,7,10,11)
InChIKey
NYDANSQFEDVGJL-UHFFFAOYSA-N
Compound name
5-chloro-1,3-dimethylpyrazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

127
Patents

209.00258 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.009856 140.8
[M+Na]+ 231.991798 153.1
[M-H]- 207.995304 142.9
[M+NH4]+ 227.036403 160.4
[M+K]+ 247.965738 149.2
[M+H-H2O]+ 191.999840 135.8
[M+HCOO]- 254.000781 154.3
[M+CH3COO]- 268.016431 182.8
[M+Na-2H]- 229.977246 142.6
[M]+ 209.00203142 144.9
[M]- 209.00312858 144.9
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