CID 2737041

32133-35-0

Structural Information

Molecular Formula

C₉H₉F₂NO₂

SMILES

C1=CC(=C(C=C1F)F)CC(C(=O)O)N

InChI

InChI=1S/C9H9F2NO2/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)

InChIKey

UEFLPVKMPDEMFW-UHFFFAOYSA-N

Compound name

2-amino-3-(2,4-difluorophenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1041
Patents: 201.06013 Da
Monoisotopic Mass: -1.2
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]+	202.06741	139.4
[M+Na]+	224.04935	147.1
[M-H]-	200.05285	138.9
[M+NH4]+	219.09395	157.3
[M+K]+	240.02329	144.4
[M+H-H2O]+	184.05739	132.0
[M+HCOO]-	246.05833	159.3
[M+CH3COO]-	260.07398	185.7
[M+Na-2H]-	222.03480	141.1
[M]+	201.05958	134.9
[M]-	201.06068	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe