CID 22235

Chloracetophos

Structural Information

Molecular Formula

C₆H₁₀Cl₃O₅P

SMILES

CC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC

InChI

InChI=1S/C6H10Cl3O5P/c1-4(10)14-5(6(7,8)9)15(11,12-2)13-3/h5H,1-3H3

InChIKey

ZZPVQMWDAFFLSI-UHFFFAOYSA-N

Compound name

(2,2,2-trichloro-1-dimethoxyphosphorylethyl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 297.93314 Da
Monoisotopic Mass: 1.4
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]+	298.94042	149.6
[M+Na]+	320.92236	158.9
[M-H]-	296.92586	149.1
[M+NH4]+	315.96696	167.4
[M+K]+	336.89630	156.4
[M+H-H2O]+	280.93040	146.8
[M+HCOO]-	342.93134	160.9
[M+CH3COO]-	356.94699	196.9
[M+Na-2H]-	318.90781	152.4
[M]+	297.93259	158.9
[M]-	297.93369	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe