CID 71755457

Ethyl 4,4-diethoxy-2,2-difluorobutanoate

Structural Information

Molecular Formula
C10H18F2O4
SMILES
CCOC(CC(C(=O)OCC)(F)F)OCC
InChI
InChI=1S/C10H18F2O4/c1-4-14-8(15-5-2)7-10(11,12)9(13)16-6-3/h8H,4-7H2,1-3H3
InChIKey
IVYCZUAAZUOXFY-UHFFFAOYSA-N
Compound name
ethyl 4,4-diethoxy-2,2-difluorobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.11731 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12459 152.7
[M+Na]+ 263.10653 158.6
[M-H]- 239.11003 149.9
[M+NH4]+ 258.15113 170.3
[M+K]+ 279.08047 159.2
[M+H-H2O]+ 223.11457 145.9
[M+HCOO]- 285.11551 170.8
[M+CH3COO]- 299.13116 193.0
[M+Na-2H]- 261.09198 154.9
[M]+ 240.11676 156.4
[M]- 240.11786 156.4
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.