CID 81624

Chloromethyl phenyl sulfoxide

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C7H7ClOS/c8-6-10(9)7-4-2-1-3-5-7/h1-5H,6H2

InChIKey

WCUSVVDFUIMPKY-UHFFFAOYSA-N

Compound name

chloromethylsulfinylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 79
Patents: 173.99062 Da
Monoisotopic Mass: 1.7
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]+	174.997896	129.4
[M+Na]+	196.979838	138.6
[M-H]-	172.983344	133.6
[M+NH4]+	192.024443	151.1
[M+K]+	212.953778	134.8
[M+H-H2O]+	156.987880	125.2
[M+HCOO]-	218.988821	144.2
[M+CH3COO]-	233.004471	175.2
[M+Na-2H]-	194.965286	133.8
[M]+	173.99007142	132.8
[M]-	173.99116858	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe