CID 14383477

145374-00-1

Structural Information

Molecular Formula

C₆H₁₀F₂O₃

SMILES

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

InChI

InChI=1S/C6H10F2O3/c1-2-11-5(10)3-4(9)6(7)8/h4,6,9H,2-3H2,1H3

InChIKey

AVOIWRHEAKPCCW-UHFFFAOYSA-N

Compound name

ethyl 4,4-difluoro-3-hydroxybutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 168.0598 Da
Monoisotopic Mass: 0.7
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]+	169.06708	132.7
[M+Na]+	191.04902	139.2
[M-H]-	167.05252	128.9
[M+NH4]+	186.09362	152.2
[M+K]+	207.02296	139.4
[M+H-H2O]+	151.05706	126.4
[M+HCOO]-	213.05800	150.8
[M+CH3COO]-	227.07365	176.9
[M+Na-2H]-	189.03447	134.3
[M]+	168.05925	131.2
[M]-	168.06035	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe