CID 57660991

5-bromo-n,n-dimethylpyrazole-1-sulfonamide

Structural Information

Molecular Formula
C5H8BrN3O2S
SMILES
CN(C)S(=O)(=O)N1C(=CC=N1)Br
InChI
InChI=1S/C5H8BrN3O2S/c1-8(2)12(10,11)9-5(6)3-4-7-9/h3-4H,1-2H3
InChIKey
CZFPJJNNYJIWOL-UHFFFAOYSA-N
Compound name
5-bromo-N,N-dimethylpyrazole-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

252.95206 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.95934 135.4
[M+Na]+ 275.94128 149.4
[M-H]- 251.94478 141.8
[M+NH4]+ 270.98588 156.7
[M+K]+ 291.91522 139.5
[M+H-H2O]+ 235.94932 135.0
[M+HCOO]- 297.95026 153.0
[M+CH3COO]- 311.96591 190.6
[M+Na-2H]- 273.92673 141.8
[M]+ 252.95151 158.1
[M]- 252.95261 158.1
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