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 151.5
[M+Na]+ 277.08579 157.9
[M-H]- 253.08929 152.2
[M+NH4]+ 272.13039 168.9
[M+K]+ 293.05973 160.0
[M+H-H2O]+ 237.09383 146.7
[M+HCOO]- 299.09477 165.8
[M+CH3COO]- 313.11042 189.8
[M+Na-2H]- 275.07124 155.2
[M]+ 254.09602 152.1
[M]- 254.09712 152.1
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