CID 2737466

4-bromo-2,6-dichlorobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₆H₂BrCl₃O₂S

SMILES

C1=C(C=C(C(=C1Cl)S(=O)(=O)Cl)Cl)Br

InChI

InChI=1S/C6H2BrCl3O2S/c7-3-1-4(8)6(5(9)2-3)13(10,11)12/h1-2H

InChIKey

CKJIKXAPXLPSCL-UHFFFAOYSA-N

Compound name

4-bromo-2,6-dichlorobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 105
Patents: 321.80246 Da
Monoisotopic Mass: 3.9
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]+	322.809736	138.8
[M+Na]+	344.791678	155.3
[M-H]-	320.795184	145.5
[M+NH4]+	339.836283	159.6
[M+K]+	360.765618	140.7
[M+H-H2O]+	304.799720	142.7
[M+HCOO]-	366.800661	142.1
[M+CH3COO]-	380.816311	195.8
[M+Na-2H]-	342.777126	144.2
[M]+	321.80191142	161.9
[M]-	321.80300858	161.9

Literature stripe

literature stripe

Patent stripe

patents stripe