CID 138990926

2309465-26-5

Structural Information

Molecular Formula
C9H16F2O4
SMILES
CCOC(C(C(=O)OCC)(F)F)OCC
InChI
InChI=1S/C9H16F2O4/c1-4-13-7(12)9(10,11)8(14-5-2)15-6-3/h8H,4-6H2,1-3H3
InChIKey
RLNZYDIAJNEKHW-UHFFFAOYSA-N
Compound name
ethyl 3,3-diethoxy-2,2-difluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.10167 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10895 147.9
[M+Na]+ 249.09089 154.3
[M-H]- 225.09439 145.3
[M+NH4]+ 244.13549 166.1
[M+K]+ 265.06483 155.1
[M+H-H2O]+ 209.09893 141.3
[M+HCOO]- 271.09987 166.3
[M+CH3COO]- 285.11552 190.0
[M+Na-2H]- 247.07634 150.7
[M]+ 226.10112 151.2
[M]- 226.10222 151.2
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.