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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	195.04634	142.0
[M+Na]+	217.02828	148.2
[M+NH4]+	212.07288	145.8
[M+K]+	233.00222	146.1
[M-H]-	193.03178	135.8
[M+Na-2H]-	215.01373	141.5
[M]+	194.03851	140.4
[M]-	194.03961	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe