CID 6328650

O,o-diethyl thiophosphonate

Structural Information

Molecular Formula

C₄H₁₀O₂PS

SMILES

CCO[P+](=S)OCC

InChI

InChI=1S/C4H10O2PS/c1-3-5-7(8)6-4-2/h3-4H2,1-2H3/q+1

InChIKey

RJODUASCKGDMQK-UHFFFAOYSA-N

Compound name

diethoxy(sulfanylidene)phosphanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 121
Patents: 153.01392 Da
Monoisotopic Mass: 2.4
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]+	154.02120	125.4
[M+Na]+	176.00314	136.8
[M+NH4]+	171.04774	134.5
[M+K]+	191.97708	130.9
[M-H]-	152.00664	126.2
[M+Na-2H]-	173.98859	129.1
[M]+	153.01337	127.8
[M]-	153.01447	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe