CID 19576760

Ethyl 5,5,5-trifluoro-2,4-dioxopentanoate

Structural Information

Molecular Formula
C7H7F3O4
SMILES
CCOC(=O)C(=O)CC(=O)C(F)(F)F
InChI
InChI=1S/C7H7F3O4/c1-2-14-6(13)4(11)3-5(12)7(8,9)10/h2-3H2,1H3
InChIKey
ZFRNSFONDYEARZ-UHFFFAOYSA-N
Compound name
ethyl 5,5,5-trifluoro-2,4-dioxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

212.02965 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03693 137.2
[M+Na]+ 235.01887 144.9
[M-H]- 211.02237 133.8
[M+NH4]+ 230.06347 155.7
[M+K]+ 250.99281 145.0
[M+H-H2O]+ 195.02691 130.3
[M+HCOO]- 257.02785 154.7
[M+CH3COO]- 271.04350 185.1
[M+Na-2H]- 233.00432 139.4
[M]+ 212.02910 136.3
[M]- 212.03020 136.3
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

patents stripe