CID 230078

Ethyl 2-fluoroacetoacetate

Structural Information

Molecular Formula

SMILES

CCOC(=O)C(C(=O)C)F

InChI

InChI=1S/C6H9FO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3

InChIKey

SHTFQLHOTAJQRJ-UHFFFAOYSA-N

Compound name

ethyl 2-fluoro-3-oxobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 322
Patents: 148.05357 Da
Monoisotopic Mass: 0.8
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]+	149.06085	130.6
[M+Na]+	171.04279	138.8
[M+NH4]+	166.08739	136.5
[M+K]+	187.01673	135.7
[M-H]-	147.04629	127.0
[M+Na-2H]-	169.02824	132.1
[M]+	148.05302	130.2
[M]-	148.05412	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe