CID 6328650

O,o-diethyl phosphonothioate

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

2
Annotation Hits: 0
References: 125
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]+	154.021196	126.5
[M+Na]+	176.003138	134.0
[M-H]-	152.006644	126.6
[M+NH4]+	171.047743	148.6
[M+K]+	191.977078	128.6
[M+H-H2O]+	136.011180	122.3
[M+HCOO]-	198.012121	150.5
[M+CH3COO]-	212.027771	169.1
[M+Na-2H]-	173.988586	129.1
[M]+	153.01337142	130.6
[M]-	153.01446858	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe