CID 92144

Trichlorfon ethyl

Structural Information

Molecular Formula

C₆H₁₂Cl₃O₄P

SMILES

CCOP(=O)(C(C(Cl)(Cl)Cl)O)OCC

InChI

InChI=1S/C6H12Cl3O4P/c1-3-12-14(11,13-4-2)5(10)6(7,8)9/h5,10H,3-4H2,1-2H3

InChIKey

FGQNUVIUWZJVCR-UHFFFAOYSA-N

Compound name

2,2,2-trichloro-1-diethoxyphosphorylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 283.9539 Da
Monoisotopic Mass: 1.5
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]+	284.96118	154.9
[M+Na]+	306.94312	163.8
[M+NH4]+	301.98772	160.3
[M+K]+	322.91706	160.3
[M-H]-	282.94662	150.5
[M+Na-2H]-	304.92857	156.1
[M]+	283.95335	155.4
[M]-	283.95445	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe