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

54498
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 142.2
[M+Na]+ 278.91180 151.7
[M-H]- 254.91530 140.3
[M+NH4]+ 273.95640 160.9
[M+K]+ 294.88574 148.3
[M+H-H2O]+ 238.91984 139.7
[M+HCOO]- 300.92078 152.9
[M+CH3COO]- 314.93643 187.6
[M+Na-2H]- 276.89725 146.0
[M]+ 255.92203 148.5
[M]- 255.92313 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.