CID 50488

69382-24-7

Structural Information

Molecular Formula
C10H18Cl3O5P
SMILES
CCOP(=O)(C(C(Cl)(Cl)Cl)OC(=O)C(C)C)OCC
InChI
InChI=1S/C10H18Cl3O5P/c1-5-16-19(15,17-6-2)9(10(11,12)13)18-8(14)7(3)4/h7,9H,5-6H2,1-4H3
InChIKey
AQESKIHROCBQOG-UHFFFAOYSA-N
Compound name
(2,2,2-trichloro-1-diethoxyphosphorylethyl) 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.99576 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.00304 166.6
[M+Na]+ 376.98498 174.2
[M-H]- 352.98848 165.7
[M+NH4]+ 372.02958 182.3
[M+K]+ 392.95892 171.2
[M+H-H2O]+ 336.99302 163.3
[M+HCOO]- 398.99396 175.9
[M+CH3COO]- 413.00961 209.0
[M+Na-2H]- 374.97043 166.6
[M]+ 353.99521 177.0
[M]- 353.99631 177.0
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.