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 169.8
[M+Na]+ 345.06852 175.8
[M-H]- 321.07202 164.7
[M+NH4]+ 340.11312 174.2
[M+K]+ 361.04246 176.8
[M+H-H2O]+ 305.07656 160.0
[M+HCOO]- 367.07750 184.2
[M+CH3COO]- 381.09315 205.6
[M+Na-2H]- 343.05397 170.0
[M]+ 322.07875 175.4
[M]- 322.07985 175.4
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.