CID 265434

7292-74-2

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C8H8FNO2/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)

InChIKey

LVYBCZIDQKJNFP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 214
Patents: 169.05391 Da
Monoisotopic Mass: -1.6
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]+	170.06119	132.5
[M+Na]+	192.04313	139.7
[M-H]-	168.04663	133.3
[M+NH4]+	187.08773	151.6
[M+K]+	208.01707	137.7
[M+H-H2O]+	152.05117	126.1
[M+HCOO]-	214.05211	153.9
[M+CH3COO]-	228.06776	178.7
[M+Na-2H]-	190.02858	136.1
[M]+	169.05336	128.5
[M]-	169.05446	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe