CID 2758032

3,4-dibromobenzenesulfonyl chloride

Structural Information

Molecular Formula

C₆H₃Br₂ClO₂S

SMILES

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

InChI

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

InChIKey

PBCQAUMKUSTMJD-UHFFFAOYSA-N

Compound name

3,4-dibromobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
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	129.4
[M+Na]+	354.78012	144.0
[M-H]-	330.78362	137.5
[M+NH4]+	349.82472	149.4
[M+K]+	370.75406	126.4
[M+H-H2O]+	314.78816	139.3
[M+HCOO]-	376.78910	138.9
[M+CH3COO]-	390.80475	202.6
[M+Na-2H]-	352.76557	137.3
[M]+	331.79035	166.9
[M]-	331.79145	166.9

Literature stripe

literature stripe

Patent stripe

patents stripe