CID 12046095

2,6-dibromobenzenesulfonyl chloride

Structural Information

Molecular Formula

C₆H₃Br₂ClO₂S

SMILES

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

InChI

InChI=1S/C6H3Br2ClO2S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H

InChIKey

JFNIGRXUBVKVQG-UHFFFAOYSA-N

Compound name

2,6-dibromobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 331.7909 Da
Monoisotopic Mass: 3.3
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]+	332.79818	135.2
[M+Na]+	354.78012	131.3
[M+NH4]+	349.82472	137.7
[M+K]+	370.75406	137.4
[M-H]-	330.78362	135.7
[M+Na-2H]-	352.76557	137.8
[M]+	331.79035	134.2
[M]-	331.79145	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe