CID 3052972

69440-58-0

Structural Information

Molecular Formula
C9H16Cl3O5P
SMILES
CCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OCC)OCC
InChI
InChI=1S/C9H16Cl3O5P/c1-4-7(13)17-8(9(10,11)12)18(14,15-5-2)16-6-3/h8H,4-6H2,1-3H3
InChIKey
AUSPBGBVPNNQIE-UHFFFAOYSA-N
Compound name
(2,2,2-trichloro-1-diethoxyphosphorylethyl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.9801 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.98738 163.9
[M+Na]+ 362.96932 172.0
[M-H]- 338.97282 162.9
[M+NH4]+ 358.01392 180.1
[M+K]+ 378.94326 168.8
[M+H-H2O]+ 322.97736 160.4
[M+HCOO]- 384.97830 174.2
[M+CH3COO]- 398.99395 205.4
[M+Na-2H]- 360.95477 165.2
[M]+ 339.97955 174.3
[M]- 339.98065 174.3
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.