CID 165431

O,o-diethyl phenylphosphonothioate

Structural Information

Molecular Formula

C₁₀H₁₅O₂PS

SMILES

CCOP(=S)(C1=CC=CC=C1)OCC

InChI

InChI=1S/C10H15O2PS/c1-3-11-13(14,12-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

InChIKey

IEEVMKZCLPHMRL-UHFFFAOYSA-N

Compound name

diethoxy-phenyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 23
Patents: 230.05304 Da
Monoisotopic Mass: 3.5
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]+	231.06032	149.8
[M+Na]+	253.04226	157.0
[M-H]-	229.04576	152.4
[M+NH4]+	248.08686	169.0
[M+K]+	269.01620	154.6
[M+H-H2O]+	213.05030	141.5
[M+HCOO]-	275.05124	173.5
[M+CH3COO]-	289.06689	188.7
[M+Na-2H]-	251.02771	151.2
[M]+	230.05249	155.1
[M]-	230.05359	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe