CID 139594057

3-bromopyridine-4-sulfonamide

Structural Information

Molecular Formula

C₅H₅BrN₂O₂S

SMILES

C1=CN=CC(=C1S(=O)(=O)N)Br

InChI

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

InChIKey

LJRDNGHHGADUEP-UHFFFAOYSA-N

Compound name

3-bromopyridine-4-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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]+	236.932776	128.9
[M+Na]+	258.914718	142.3
[M-H]-	234.918224	134.3
[M+NH4]+	253.959323	149.3
[M+K]+	274.888658	130.3
[M+H-H2O]+	218.922760	128.9
[M+HCOO]-	280.923701	145.7
[M+CH3COO]-	294.939351	184.2
[M+Na-2H]-	256.900166	137.1
[M]+	235.92495142	148.1
[M]-	235.92604858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.