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: 16
Patents: 252.95206 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.95934	138.4
[M+Na]+	275.94128	139.0
[M+NH4]+	270.98588	141.7
[M+K]+	291.91522	141.7
[M-H]-	251.94478	136.6
[M+Na-2H]-	273.92673	140.1
[M]+	252.95151	136.9
[M]-	252.95261	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe