CID 13477297

114420-06-3

Structural Information

Molecular Formula
C10H16F2O5
SMILES
CCOC(=O)C(C(C1COC(O1)(C)C)O)(F)F
InChI
InChI=1S/C10H16F2O5/c1-4-15-8(14)10(11,12)7(13)6-5-16-9(2,3)17-6/h6-7,13H,4-5H2,1-3H3
InChIKey
OUFRYOWGFSOSEY-UHFFFAOYSA-N
Compound name
ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

254.09657 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10385 158.6
[M+Na]+ 277.08579 163.7
[M+NH4]+ 272.13039 163.4
[M+K]+ 293.05973 162.7
[M-H]- 253.08929 155.5
[M+Na-2H]- 275.07124 158.3
[M]+ 254.09602 158.0
[M]- 254.09712 158.0
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

patents stripe