CID 3065742

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

Structural Information

Molecular Formula
C10H18F3O6P
SMILES
CCCOP(=O)(OCCC)OC(C(=O)OC)C(F)(F)F
InChI
InChI=1S/C10H18F3O6P/c1-4-6-17-20(15,18-7-5-2)19-8(9(14)16-3)10(11,12)13/h8H,4-7H2,1-3H3
InChIKey
ILANCWSCKWMAHB-UHFFFAOYSA-N
Compound name
methyl 2-dipropoxyphosphoryloxy-3,3,3-trifluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.0793 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.08658 172.5
[M+Na]+ 345.06852 175.4
[M+NH4]+ 340.11312 173.4
[M+K]+ 361.04246 174.5
[M-H]- 321.07202 163.1
[M+Na-2H]- 343.05397 169.5
[M]+ 322.07875 169.5
[M]- 322.07985 169.5
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.