CID 2737366

2,4-dibromobenzenesulfonyl chloride

Structural Information

Molecular Formula

C₆H₃Br₂ClO₂S

SMILES

C1=CC(=C(C=C1Br)Br)S(=O)(=O)Cl

InChI

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

InChIKey

OMOXIKAWVFDFNX-UHFFFAOYSA-N

Compound name

2,4-dibromobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
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]+	332.798176	129.4
[M+Na]+	354.780118	144.0
[M-H]-	330.783624	137.5
[M+NH4]+	349.824723	149.4
[M+K]+	370.754058	126.4
[M+H-H2O]+	314.788160	139.3
[M+HCOO]-	376.789101	138.9
[M+CH3COO]-	390.804751	202.6
[M+Na-2H]-	352.765566	137.3
[M]+	331.79035142	166.9
[M]-	331.79144858	166.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe