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: 14
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]+	284.961176	151.6
[M+Na]+	306.943118	160.4
[M-H]-	282.946624	149.4
[M+NH4]+	301.987723	169.3
[M+K]+	322.917058	156.5
[M+H-H2O]+	266.951160	148.8
[M+HCOO]-	328.952101	161.7
[M+CH3COO]-	342.967751	193.3
[M+Na-2H]-	304.928566	154.4
[M]+	283.95335142	158.7
[M]-	283.95444858	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe