CID 31435

O,s,s-trimethyl phosphorodithioate

Structural Information

Molecular Formula

C₃H₉O₂PS₂

SMILES

COP(=O)(SC)SC

InChI

InChI=1S/C3H9O2PS2/c1-5-6(4,7-2)8-3/h1-3H3

InChIKey

NIJIQSOYZWDHAQ-UHFFFAOYSA-N

Compound name

bis(methylsulfanyl)phosphoryloxymethane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 28
References: 959
Patents: 171.97816 Da
Monoisotopic Mass: 0.3
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]+	172.98544	128.9
[M+Na]+	194.96738	137.0
[M-H]-	170.97088	128.5
[M+NH4]+	190.01198	150.5
[M+K]+	210.94132	135.4
[M+H-H2O]+	154.97542	121.7
[M+HCOO]-	216.97636	147.3
[M+CH3COO]-	230.99201	177.4
[M+Na-2H]-	192.95283	128.9
[M]+	171.97761	134.4
[M]-	171.97871	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe