CID 165841475

Ethyl 5,5-difluoro-2,4-dioxohexanoate

Structural Information

Molecular Formula
C8H10F2O4
SMILES
CCOC(=O)C(=O)CC(=O)C(C)(F)F
InChI
InChI=1S/C8H10F2O4/c1-3-14-7(13)5(11)4-6(12)8(2,9)10/h3-4H2,1-2H3
InChIKey
DEKVJNUAQWMZOZ-UHFFFAOYSA-N
Compound name
ethyl 5,5-difluoro-2,4-dioxohexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.05472 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.06200 139.1
[M+Na]+ 231.04394 146.2
[M-H]- 207.04744 136.8
[M+NH4]+ 226.08854 157.7
[M+K]+ 247.01788 146.6
[M+H-H2O]+ 191.05198 133.0
[M+HCOO]- 253.05292 157.3
[M+CH3COO]- 267.06857 186.0
[M+Na-2H]- 229.02939 141.4
[M]+ 208.05417 140.0
[M]- 208.05527 140.0
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

No patent data available for this compound.