CID 74447

1741-11-3

Structural Information

Molecular Formula

C₅H₁₁O₄PS₂

SMILES

CC(=O)OCSP(=S)(OC)OC

InChI

InChI=1S/C5H11O4PS2/c1-5(6)9-4-12-10(11,7-2)8-3/h4H2,1-3H3

InChIKey

NOQSFQMPWUXNPT-UHFFFAOYSA-N

Compound name

dimethoxyphosphinothioylsulfanylmethyl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 229.98364 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]+	230.99092	146.6
[M+Na]+	252.97286	153.4
[M+NH4]+	248.01746	152.8
[M+K]+	268.94680	147.1
[M-H]-	228.97636	143.7
[M+Na-2H]-	250.95831	146.6
[M]+	229.98309	147.3
[M]-	229.98419	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.