CID 2777602

63701-37-1

Structural Information

Molecular Formula

C₁₀H₁₀F₃NO₂

SMILES

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

InChI

InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)

InChIKey

BURBNIPKSRJAIQ-UHFFFAOYSA-N

Compound name

2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3440
Patents: 233.06636 Da
Monoisotopic Mass: -0.6
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]+	234.07364	151.2
[M+Na]+	256.05558	157.9
[M+NH4]+	251.10018	155.4
[M+K]+	272.02952	154.7
[M-H]-	232.05908	147.1
[M+Na-2H]-	254.04103	153.5
[M]+	233.06581	150.4
[M]-	233.06691	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe