CID 9976

3-fluoro-dl-phenylalanine

Structural Information

Molecular Formula

C₉H₁₀FNO₂

SMILES

C1=CC(=CC(=C1)F)CC(C(=O)O)N

InChI

InChI=1S/C9H10FNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)

InChIKey

VWHRYODZTDMVSS-UHFFFAOYSA-N

Compound name

2-amino-3-(3-fluorophenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 34
References: 6617
Patents: 183.06955 Da
Monoisotopic Mass: -1.9
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]+	184.07683	138.0
[M+Na]+	206.05877	147.6
[M+NH4]+	201.10337	144.6
[M+K]+	222.03271	143.2
[M-H]-	182.06227	137.6
[M+Na-2H]-	204.04422	142.5
[M]+	183.06900	138.8
[M]-	183.07010	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe