CID 86682482

4-bromo-3-cyanobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₇H₃BrClNO₂S

SMILES

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

InChI

InChI=1S/C7H3BrClNO2S/c8-7-2-1-6(13(9,11)12)3-5(7)4-10/h1-3H

InChIKey

MGLJFSPMLDDGBJ-UHFFFAOYSA-N

Compound name

4-bromo-3-cyanobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 278.87564 Da
Monoisotopic Mass: 2.4
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]+	279.88292	134.0
[M+Na]+	301.86486	138.6
[M+NH4]+	296.90946	136.4
[M+K]+	317.83880	134.9
[M-H]-	277.86836	128.1
[M+Na-2H]-	299.85031	136.3
[M]+	278.87509	131.9
[M]-	278.87619	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe