CID 20706027

2-iodo-l-phenylalanine

Structural Information

Molecular Formula

C₉H₁₀INO₂

SMILES

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

InChI

InChI=1S/C9H10INO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1

InChIKey

BKXVGLPBXYBDDM-QMMMGPOBSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 202
Patents: 290.97562 Da
Monoisotopic Mass: -0.9
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]+	291.98290	152.8
[M+Na]+	313.96484	155.4
[M+NH4]+	309.00944	155.6
[M+K]+	329.93878	153.9
[M-H]-	289.96834	147.6
[M+Na-2H]-	311.95029	144.7
[M]+	290.97507	150.3
[M]-	290.97617	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe