CID 90157190

Benzyl 3-fluoro-2-hydroxypropanoate

Structural Information

Molecular Formula

C₁₀H₁₁FO₃

SMILES

C1=CC=C(C=C1)COC(=O)C(CF)O

InChI

InChI=1S/C10H11FO3/c11-6-9(12)10(13)14-7-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2

InChIKey

BCFGFPIKYAEZEF-UHFFFAOYSA-N

Compound name

benzyl 3-fluoro-2-hydroxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 198.06923 Da
Monoisotopic Mass: 1.3
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]+	199.07651	142.4
[M+Na]+	221.05845	152.6
[M+NH4]+	216.10305	149.1
[M+K]+	237.03239	147.7
[M-H]-	197.06195	141.5
[M+Na-2H]-	219.04390	147.2
[M]+	198.06868	143.3
[M]-	198.06978	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe