CID 164873

Chloromethyl ethyl sulfide

Structural Information

Molecular Formula

SMILES

CCSCCl

InChI

InChI=1S/C3H7ClS/c1-2-5-3-4/h2-3H2,1H3

InChIKey

XZCHJYXUPALGHH-UHFFFAOYSA-N

Compound name

chloromethylsulfanylethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 184
Patents: 109.9957 Da
Monoisotopic Mass: 1.9
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]+	111.00298	117.6
[M+Na]+	132.98492	129.9
[M+NH4]+	128.02952	128.0
[M+K]+	148.95886	120.9
[M-H]-	108.98842	118.7
[M+Na-2H]-	130.97037	122.6
[M]+	109.99515	120.4
[M]-	109.99625	120.4

Literature stripe

literature stripe

Patent stripe

patents stripe