CID 91655

Chlorethoxyfos

Structural Information

Molecular Formula

C₆H₁₁Cl₄O₃PS

SMILES

CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl

InChI

InChI=1S/C6H11Cl4O3PS/c1-3-11-14(15,12-4-2)13-5(7)6(8,9)10/h5H,3-4H2,1-2H3

InChIKey

XFDJMIHUAHSGKG-UHFFFAOYSA-N

Compound name

diethoxy-sulfanylidene-(1,2,2,2-tetrachloroethoxy)-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 3
References: 21108
Patents: 333.89206 Da
Monoisotopic Mass: 4.6
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]+	334.899336	158.3
[M+Na]+	356.881278	165.9
[M-H]-	332.884784	156.7
[M+NH4]+	351.925883	174.5
[M+K]+	372.855218	161.7
[M+H-H2O]+	316.889320	155.5
[M+HCOO]-	378.890261	159.3
[M+CH3COO]-	392.905911	203.0
[M+Na-2H]-	354.866726	157.5
[M]+	333.89151142	165.5
[M]-	333.89260858	165.5

Literature stripe

literature stripe

Patent stripe

patents stripe