CID 12684258

5-bromopyridine-3-sulfonamide

Structural Information

Molecular Formula

C₅H₅BrN₂O₂S

SMILES

C1=C(C=NC=C1Br)S(=O)(=O)N

InChI

InChI=1S/C5H5BrN2O2S/c6-4-1-5(3-8-2-4)11(7,9)10/h1-3H,(H2,7,9,10)

InChIKey

ZJAYGKNATMSZHZ-UHFFFAOYSA-N

Compound name

5-bromopyridine-3-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 284
Patents: 235.9255 Da
Monoisotopic Mass: 0.1
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]+	236.93278	128.5
[M+Na]+	258.91472	130.8
[M+NH4]+	253.95932	132.6
[M+K]+	274.88866	131.4
[M-H]-	234.91822	127.9
[M+Na-2H]-	256.90017	132.1
[M]+	235.92495	127.7
[M]-	235.92605	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe