CID 21544100

3-bromo-5-cyanobenzene-1-sulfonamide

Structural Information

Molecular Formula

C₇H₅BrN₂O₂S

SMILES

C1=C(C=C(C=C1S(=O)(=O)N)Br)C#N

InChI

InChI=1S/C7H5BrN2O2S/c8-6-1-5(4-9)2-7(3-6)13(10,11)12/h1-3H,(H2,10,11,12)

InChIKey

KRPSIXTXUAQSKG-UHFFFAOYSA-N

Compound name

3-bromo-5-cyanobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 259.9255 Da
Monoisotopic Mass: 0.9
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]+	260.93278	134.6
[M+Na]+	282.91472	137.3
[M+NH4]+	277.95932	136.2
[M+K]+	298.88866	134.6
[M-H]-	258.91822	128.6
[M+Na-2H]-	280.90017	136.0
[M]+	259.92495	131.8
[M]-	259.92605	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe