CID 114636

Demethyldichlorvos

Structural Information

Molecular Formula
C3H5Cl2O4P
SMILES
COP(=O)(O)OC=C(Cl)Cl
InChI
InChI=1S/C3H5Cl2O4P/c1-8-10(6,7)9-2-3(4)5/h2H,1H3,(H,6,7)
InChIKey
PFCDFSJUWNKQQI-UHFFFAOYSA-N
Compound name
2,2-dichloroethenyl methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

28
Patents

205.93025 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.93753 132.0
[M+Na]+ 228.91947 141.8
[M-H]- 204.92297 130.4
[M+NH4]+ 223.96407 152.5
[M+K]+ 244.89341 138.8
[M+H-H2O]+ 188.92751 128.4
[M+HCOO]- 250.92845 150.0
[M+CH3COO]- 264.94410 177.7
[M+Na-2H]- 226.90492 135.9
[M]+ 205.92970 137.9
[M]- 205.93080 137.9
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.