CID 52618

73825-58-8

Structural Information

Molecular Formula
C11H20Cl3O5P
SMILES
CCOP(=O)(C(C(Cl)(Cl)Cl)OC(=O)CC(C)C)OCC
InChI
InChI=1S/C11H20Cl3O5P/c1-5-17-20(16,18-6-2)10(11(12,13)14)19-9(15)7-8(3)4/h8,10H,5-7H2,1-4H3
InChIKey
KSMCJXOIPNBPIJ-UHFFFAOYSA-N
Compound name
(2,2,2-trichloro-1-diethoxyphosphorylethyl) 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.01138 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.018656 171.3
[M+Na]+ 391.000598 178.5
[M-H]- 367.004104 170.3
[M+NH4]+ 386.045203 186.6
[M+K]+ 406.974538 175.4
[M+H-H2O]+ 351.008640 167.9
[M+HCOO]- 413.009581 180.3
[M+CH3COO]- 427.025231 211.8
[M+Na-2H]- 388.986046 170.8
[M]+ 368.01083142 182.1
[M]- 368.01192858 182.1
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.