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
9
Annotation Hits

1221
References

45420
Patents

255.92258 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.92986 146.5
[M+Na]+ 278.91180 155.8
[M+NH4]+ 273.95640 152.3
[M+K]+ 294.88574 152.8
[M-H]- 254.91530 142.2
[M+Na-2H]- 276.89725 148.3
[M]+ 255.92203 147.1
[M]- 255.92313 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe