CID 3065734

3,3,3-trifluorolactic acid methyl ester diethyl phosphate

Structural Information

Molecular Formula
C8H14F3O6P
SMILES
CCOP(=O)(OCC)OC(C(=O)OC)C(F)(F)F
InChI
InChI=1S/C8H14F3O6P/c1-4-15-18(13,16-5-2)17-6(7(12)14-3)8(9,10)11/h6H,4-5H2,1-3H3
InChIKey
JICBEANZEAAFFU-UHFFFAOYSA-N
Compound name
methyl 2-diethoxyphosphoryloxy-3,3,3-trifluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.048 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.05528 160.0
[M+Na]+ 317.03722 166.9
[M-H]- 293.04072 155.3
[M+NH4]+ 312.08182 166.3
[M+K]+ 333.01116 168.3
[M+H-H2O]+ 277.04526 150.6
[M+HCOO]- 339.04620 177.1
[M+CH3COO]- 353.06185 199.6
[M+Na-2H]- 315.02267 161.3
[M]+ 294.04745 164.9
[M]- 294.04855 164.9
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.