CID 43141455

1-(1-bromoethyl)-4-methanesulfonylbenzene

Structural Information

Molecular Formula

C₉H₁₁BrO₂S

SMILES

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

InChI

InChI=1S/C9H11BrO2S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-7H,1-2H3

InChIKey

YZMVNSSLFDYENG-UHFFFAOYSA-N

Compound name

1-(1-bromoethyl)-4-methylsulfonylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 261.9663 Da
Monoisotopic Mass: 2.1
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]+	262.97358	135.0
[M+Na]+	284.95552	137.9
[M+NH4]+	280.00012	139.9
[M+K]+	300.92946	137.8
[M-H]-	260.95902	134.9
[M+Na-2H]-	282.94097	138.7
[M]+	261.96575	134.7
[M]-	261.96685	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe