CID 94937

6-fluoro-dl-tryptophan

Structural Information

Molecular Formula

C₁₁H₁₁FN₂O₂

SMILES

C1=CC2=C(C=C1F)NC=C2CC(C(=O)O)N

InChI

InChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)

InChIKey

YMEXGEAJNZRQEH-UHFFFAOYSA-N

Compound name

2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 40
References: 1986
Patents: 222.08046 Da
Monoisotopic Mass: -0.8
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]+	223.08774	145.9
[M+Na]+	245.06968	155.5
[M+NH4]+	240.11428	152.1
[M+K]+	261.04362	153.1
[M-H]-	221.07318	144.7
[M+Na-2H]-	243.05513	149.2
[M]+	222.07991	146.4
[M]-	222.08101	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe