CID 212855

P-bromophenyl phenyl sulfoxide

Structural Information

Molecular Formula

C₁₂H₉BrOS

SMILES

C1=CC=C(C=C1)S(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H9BrOS/c13-10-6-8-12(9-7-10)15(14)11-4-2-1-3-5-11/h1-9H

InChIKey

ZTRXUNUYTUUDRR-UHFFFAOYSA-N

Compound name

1-(benzenesulfinyl)-4-bromobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 279.95575 Da
Monoisotopic Mass: 2.8
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]+	280.96303	143.7
[M+Na]+	302.94497	155.8
[M-H]-	278.94847	153.5
[M+NH4]+	297.98957	164.1
[M+K]+	318.91891	143.6
[M+H-H2O]+	262.95301	144.0
[M+HCOO]-	324.95395	161.1
[M+CH3COO]-	338.96960	159.1
[M+Na-2H]-	300.93042	149.8
[M]+	279.95520	163.7
[M]-	279.95630	163.7

Literature stripe

literature stripe

Patent stripe

patents stripe