CID 1481546

151911-32-9

Structural Information

Molecular Formula

C₉H₁₀FNO₂

SMILES

C1=CC=C(C(=C1)[C@H](CC(=O)O)N)F

InChI

InChI=1S/C9H10FNO2/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1

InChIKey

RSCLTSJQAQBNCE-QMMMGPOBSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 175
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

No literature data available for this compound.

Patent stripe

patents stripe