CID 259791

Nsc90351

Structural Information

Molecular Formula

C₉H₁₀FNO₂

SMILES

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

InChI

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

InChIKey

WYWLYZBQCIXWEU-UHFFFAOYSA-N

Compound name

2-amino-2-fluoro-3-phenylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 183.06955 Da
Monoisotopic Mass: -1.1
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	136.9
[M+Na]+	206.05877	143.5
[M-H]-	182.06227	137.4
[M+NH4]+	201.10337	155.3
[M+K]+	222.03271	141.1
[M+H-H2O]+	166.06681	130.6
[M+HCOO]-	228.06775	157.4
[M+CH3COO]-	242.08340	179.9
[M+Na-2H]-	204.04422	142.7
[M]+	183.06900	133.0
[M]-	183.07010	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe