CID 50896715

Ethyl 5,5-difluoro-2,4-dioxopentanoate

Structural Information

Molecular Formula
C7H8F2O4
SMILES
CCOC(=O)C(=O)CC(=O)C(F)F
InChI
InChI=1S/C7H8F2O4/c1-2-13-7(12)5(11)3-4(10)6(8)9/h6H,2-3H2,1H3
InChIKey
UVYGMVRFNMUGAX-UHFFFAOYSA-N
Compound name
ethyl 5,5-difluoro-2,4-dioxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

194.03906 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04634 135.6
[M+Na]+ 217.02828 142.5
[M-H]- 193.03178 133.3
[M+NH4]+ 212.07288 154.6
[M+K]+ 233.00222 143.1
[M+H-H2O]+ 177.03632 129.1
[M+HCOO]- 239.03726 154.6
[M+CH3COO]- 253.05291 183.7
[M+Na-2H]- 215.01373 136.2
[M]+ 194.03851 135.9
[M]- 194.03961 135.9
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