CID 12759732

Chloro(chloromethanesulfinyl)methane

Structural Information

Molecular Formula

C₂H₄Cl₂OS

SMILES

C(S(=O)CCl)Cl

InChI

InChI=1S/C2H4Cl2OS/c3-1-6(5)2-4/h1-2H2

InChIKey

PDEXWJGSZIRHMS-UHFFFAOYSA-N

Compound name

chloro(chloromethylsulfinyl)methane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 145.93599 Da
Monoisotopic Mass: 0.6
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]+	146.94327	119.1
[M+Na]+	168.92521	128.8
[M-H]-	144.92871	119.9
[M+NH4]+	163.96981	142.2
[M+K]+	184.89915	125.4
[M+H-H2O]+	128.93325	117.3
[M+HCOO]-	190.93419	128.6
[M+CH3COO]-	204.94984	170.0
[M+Na-2H]-	166.91066	122.4
[M]+	145.93544	123.3
[M]-	145.93654	123.3

Literature stripe

literature stripe

Patent stripe

patents stripe