CID 13514641

Schembl9343907

Structural Information

Molecular Formula

C₆H₁₁FO₃

SMILES

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

InChI

InChI=1S/C6H11FO3/c1-3-10-5(9)6(2,7)4-8/h8H,3-4H2,1-2H3

InChIKey

DLWIEHPLFDUIGE-UHFFFAOYSA-N

Compound name

ethyl 2-fluoro-3-hydroxy-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 150.06923 Da
Monoisotopic Mass: 0.4
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	131.2
[M+Na]+	173.05845	139.3
[M+NH4]+	168.10305	137.1
[M+K]+	189.03239	136.2
[M-H]-	149.06195	127.1
[M+Na-2H]-	171.04390	133.0
[M]+	150.06868	130.8
[M]-	150.06978	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe