CID 99232

26732-25-2

Structural Information

Molecular Formula

C₈H₈BrClO₂S

SMILES

C1=CC(=CC=C1S(=O)(=O)CCCl)Br

InChI

InChI=1S/C8H8BrClO2S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4H,5-6H2

InChIKey

BSSDAMWQINGNMC-UHFFFAOYSA-N

Compound name

1-bromo-4-(2-chloroethylsulfonyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 281.91168 Da
Monoisotopic Mass: 2.6
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]+	282.91896	139.3
[M+Na]+	304.90090	143.4
[M+NH4]+	299.94550	144.6
[M+K]+	320.87484	141.8
[M-H]-	280.90440	139.4
[M+Na-2H]-	302.88635	143.4
[M]+	281.91113	139.5
[M]-	281.91223	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe