CID 22070

Bis(2-chloroethyl) sulfoxide

Structural Information

Molecular Formula

C₄H₈Cl₂OS

SMILES

C(CCl)S(=O)CCCl

InChI

InChI=1S/C4H8Cl2OS/c5-1-3-8(7)4-2-6/h1-4H2

InChIKey

NOMHBBFEJSVGSC-UHFFFAOYSA-N

Compound name

1-chloro-2-(2-chloroethylsulfinyl)ethane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 84
Patents: 173.96729 Da
Monoisotopic Mass: 0.4
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]+	174.97457	128.2
[M+Na]+	196.95651	137.0
[M-H]-	172.96001	128.6
[M+NH4]+	192.00111	150.2
[M+K]+	212.93045	133.1
[M+H-H2O]+	156.96455	125.9
[M+HCOO]-	218.96549	137.0
[M+CH3COO]-	232.98114	175.9
[M+Na-2H]-	194.94196	130.5
[M]+	173.96674	133.1
[M]-	173.96784	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe