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]+ 326.971726 159.1
[M+Na]+ 348.953668 167.6
[M-H]- 324.957174 158.3
[M+NH4]+ 343.998273 175.9
[M+K]+ 364.927608 164.7
[M+H-H2O]+ 308.961710 155.9
[M+HCOO]- 370.962651 169.8
[M+CH3COO]- 384.978301 202.6
[M+Na-2H]- 346.939116 161.0
[M]+ 325.96390142 169.1
[M]- 325.96499858 169.1
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.