CID 71360732

Ethyl 2-fluoro-3-hydroxybutanoate

Structural Information

Molecular Formula

C₆H₁₁FO₃

SMILES

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

InChI

InChI=1S/C6H11FO3/c1-3-10-6(9)5(7)4(2)8/h4-5,8H,3H2,1-2H3

InChIKey

GQURZXWOXDVWTD-UHFFFAOYSA-N

Compound name

ethyl 2-fluoro-3-hydroxybutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 150.06923 Da
Monoisotopic Mass: 0.6
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]+	151.07651	130.2
[M+Na]+	173.05845	136.7
[M-H]-	149.06195	127.9
[M+NH4]+	168.10305	150.6
[M+K]+	189.03239	137.3
[M+H-H2O]+	133.06649	124.9
[M+HCOO]-	195.06743	149.4
[M+CH3COO]-	209.08308	174.2
[M+Na-2H]-	171.04390	132.4
[M]+	150.06868	130.0
[M]-	150.06978	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe