CID 16916

Chloromethyl methyl sulfide

Structural Information

Molecular Formula

SMILES

CSCCl

InChI

InChI=1S/C2H5ClS/c1-4-2-3/h2H2,1H3

InChIKey

JWMLCCRPDOIBAV-UHFFFAOYSA-N

Compound name

chloro(methylsulfanyl)methane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3200
Patents: 95.98005 Da
Monoisotopic Mass: 1.6
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]+	96.987326	111.2
[M+Na]+	118.96927	120.7
[M-H]-	94.972774	112.4
[M+NH4]+	114.01387	136.2
[M+K]+	134.94321	118.8
[M+H-H2O]+	78.977310	108.5
[M+HCOO]-	140.97825	126.2
[M+CH3COO]-	154.99390	163.3
[M+Na-2H]-	116.95472	116.3
[M]+	95.979501	114.5
[M]-	95.980599	114.5

Literature stripe

literature stripe

Patent stripe

patents stripe