CID 3065733

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

Structural Information

Molecular Formula
C6H10F3O6P
SMILES
COC(=O)C(C(F)(F)F)OP(=O)(OC)OC
InChI
InChI=1S/C6H10F3O6P/c1-12-5(10)4(6(7,8)9)15-16(11,13-2)14-3/h4H,1-3H3
InChIKey
ACAJSEOGAFXIAY-UHFFFAOYSA-N
Compound name
methyl 2-dimethoxyphosphoryloxy-3,3,3-trifluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.01672 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.02400 150.1
[M+Na]+ 289.00594 157.8
[M-H]- 265.00944 145.7
[M+NH4]+ 284.05054 167.1
[M+K]+ 304.97988 159.7
[M+H-H2O]+ 249.01398 141.1
[M+HCOO]- 311.01492 172.7
[M+CH3COO]- 325.03057 193.7
[M+Na-2H]- 286.99139 152.4
[M]+ 266.01617 154.2
[M]- 266.01727 154.2
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.