CID 12548722

Dibrom-m-xylol-2-sulfochlorid

Structural Information

Molecular Formula

C₈H₇Br₂ClO₂S

SMILES

CC1=C(C(=C(C=C1Br)Br)C)S(=O)(=O)Cl

InChI

InChI=1S/C8H7Br2ClO2S/c1-4-6(9)3-7(10)5(2)8(4)14(11,12)13/h3H,1-2H3

InChIKey

UVDBISCJHRJSCW-UHFFFAOYSA-N

Compound name

3,5-dibromo-2,6-dimethylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 359.8222 Da
Monoisotopic Mass: 4.1
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]+	360.82948	135.7
[M+Na]+	382.81142	150.7
[M-H]-	358.81492	144.0
[M+NH4]+	377.85602	155.2
[M+K]+	398.78536	132.8
[M+H-H2O]+	342.81946	145.3
[M+HCOO]-	404.82040	144.5
[M+CH3COO]-	418.83605	208.9
[M+Na-2H]-	380.79687	141.8
[M]+	359.82165	174.1
[M]-	359.82275	174.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.