CID 22889238

1375107-84-8

Structural Information

Molecular Formula

C₈H₈BrClO₂S

SMILES

CC1=C(C=CC(=C1C)Br)S(=O)(=O)Cl

InChI

InChI=1S/C8H8BrClO2S/c1-5-6(2)8(13(10,11)12)4-3-7(5)9/h3-4H,1-2H3

InChIKey

FJAKQMPZWFIBMM-UHFFFAOYSA-N

Compound name

4-bromo-2,3-dimethylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 281.91168 Da
Monoisotopic Mass: 3.4
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]+	282.918956	137.9
[M+Na]+	304.900898	153.5
[M-H]-	280.904404	145.8
[M+NH4]+	299.945503	160.0
[M+K]+	320.874838	140.1
[M+H-H2O]+	264.908940	140.1
[M+HCOO]-	326.909881	150.4
[M+CH3COO]-	340.925531	192.0
[M+Na-2H]-	302.886346	143.8
[M]+	281.91113142	161.9
[M]-	281.91222858	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe