CID 10953829

122795-13-5

Structural Information

Molecular Formula

C₇H₁₁FO₃

SMILES

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

InChI

InChI=1S/C7H11FO3/c1-4-11-6(10)7(3,8)5(2)9/h4H2,1-3H3

InChIKey

OWWHYTYIIZMKIH-UHFFFAOYSA-N

Compound name

ethyl 2-fluoro-2-methyl-3-oxobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 162.06923 Da
Monoisotopic Mass: 1.0
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]+	163.07651	131.1
[M+Na]+	185.05845	138.6
[M-H]-	161.06195	130.4
[M+NH4]+	180.10305	152.0
[M+K]+	201.03239	139.3
[M+H-H2O]+	145.06649	126.3
[M+HCOO]-	207.06743	151.2
[M+CH3COO]-	221.08308	178.3
[M+Na-2H]-	183.04390	135.6
[M]+	162.06868	132.7
[M]-	162.06978	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe