CID 166604260

Ethyl 2-(5,5-difluoro-2-oxocyclohexyl)-2-oxoacetate

Structural Information

Molecular Formula
C10H12F2O4
SMILES
CCOC(=O)C(=O)C1CC(CCC1=O)(F)F
InChI
InChI=1S/C10H12F2O4/c1-2-16-9(15)8(14)6-5-10(11,12)4-3-7(6)13/h6H,2-5H2,1H3
InChIKey
GLPMNEBITKYWJE-UHFFFAOYSA-N
Compound name
ethyl 2-(5,5-difluoro-2-oxocyclohexyl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.07036 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07764 145.2
[M+Na]+ 257.05958 152.3
[M-H]- 233.06308 145.9
[M+NH4]+ 252.10418 164.8
[M+K]+ 273.03352 151.5
[M+H-H2O]+ 217.06762 139.0
[M+HCOO]- 279.06856 162.4
[M+CH3COO]- 293.08421 189.4
[M+Na-2H]- 255.04503 146.5
[M]+ 234.06981 142.3
[M]- 234.07091 142.3
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.