CID 5853

Trichlorfon

Structural Information

Molecular Formula

C₄H₈Cl₃O₄P

SMILES

COP(=O)(C(C(Cl)(Cl)Cl)O)OC

InChI

InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3

InChIKey

NFACJZMKEDPNKN-UHFFFAOYSA-N

Compound name

2,2,2-trichloro-1-dimethoxyphosphorylethanol

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 1221
References: 54771
Patents: 255.92258 Da
Monoisotopic Mass: 0.5
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]+	256.929856	142.2
[M+Na]+	278.911798	151.7
[M-H]-	254.915304	140.3
[M+NH4]+	273.956403	160.9
[M+K]+	294.885738	148.3
[M+H-H2O]+	238.919840	139.7
[M+HCOO]-	300.920781	152.9
[M+CH3COO]-	314.936431	187.6
[M+Na-2H]-	276.897246	146.0
[M]+	255.92203142	148.5
[M]-	255.92312858	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe