CID 120885

1-chloro-4-(phenylsulfinyl)benzene

Structural Information

Molecular Formula

C₁₂H₉ClOS

SMILES

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

InChI

InChI=1S/C12H9ClOS/c13-10-6-8-12(9-7-10)15(14)11-4-2-1-3-5-11/h1-9H

InChIKey

XRVFHWFVEIJJKX-UHFFFAOYSA-N

Compound name

1-(benzenesulfinyl)-4-chlorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 236.00627 Da
Monoisotopic Mass: 2.7
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]+	237.01355	146.9
[M+Na]+	258.99549	163.2
[M+NH4]+	254.04009	157.5
[M+K]+	274.96943	152.4
[M-H]-	234.99899	152.5
[M+Na-2H]-	256.98094	157.3
[M]+	236.00572	151.8
[M]-	236.00682	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe