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 159.1
[M+Na]+ 348.95367 167.6
[M-H]- 324.95717 158.3
[M+NH4]+ 343.99827 175.9
[M+K]+ 364.92761 164.7
[M+H-H2O]+ 308.96171 155.9
[M+HCOO]- 370.96265 169.8
[M+CH3COO]- 384.97830 202.6
[M+Na-2H]- 346.93912 161.0
[M]+ 325.96390 169.1
[M]- 325.96500 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.