CID 22236

5952-42-1

Structural Information

Molecular Formula
C8H14Cl3O5P
SMILES
CCOP(=O)(C(C(Cl)(Cl)Cl)OC(=O)C)OCC
InChI
InChI=1S/C8H14Cl3O5P/c1-4-14-17(13,15-5-2)7(8(9,10)11)16-6(3)12/h7H,4-5H2,1-3H3
InChIKey
GRTYKGBPJIPJNZ-UHFFFAOYSA-N
Compound name
(2,2,2-trichloro-1-diethoxyphosphorylethyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.96445 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.97173 163.2
[M+Na]+ 348.95367 171.5
[M+NH4]+ 343.99827 167.8
[M+K]+ 364.92761 168.6
[M-H]- 324.95717 158.4
[M+Na-2H]- 346.93912 163.8
[M]+ 325.96390 163.5
[M]- 325.96500 163.5
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.