CID 3587902

Triethyl 2,2-dichloro-2-phosphonoacetate

Structural Information

Molecular Formula
C8H15Cl2O5P
SMILES
CCOC(=O)C(P(=O)(OCC)OCC)(Cl)Cl
InChI
InChI=1S/C8H15Cl2O5P/c1-4-13-7(11)8(9,10)16(12,14-5-2)15-6-3/h4-6H2,1-3H3
InChIKey
PNIZABWIGNVQCB-UHFFFAOYSA-N
Compound name
ethyl 2,2-dichloro-2-diethoxyphosphorylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

292.00342 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.01070 156.9
[M+Na]+ 314.99264 165.5
[M-H]- 290.99614 156.5
[M+NH4]+ 310.03724 174.9
[M+K]+ 330.96658 163.1
[M+H-H2O]+ 275.00068 152.5
[M+HCOO]- 337.00162 173.6
[M+CH3COO]- 351.01727 197.5
[M+Na-2H]- 312.97809 160.3
[M]+ 292.00287 167.7
[M]- 292.00397 167.7
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