CID 688475

L-4-fluorotryptophan

Structural Information

Molecular Formula

C₁₁H₁₁FN₂O₂

SMILES

C1=CC2=C(C(=C1)F)C(=CN2)C[C@@H](C(=O)O)N

InChI

InChI=1S/C11H11FN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)/t8-/m0/s1

InChIKey

DEBQMEYEKKWIKC-QMMMGPOBSA-N

Compound name

(2S)-2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 24
References: 827
Patents: 222.08046 Da
Monoisotopic Mass: -1.1
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	145.7
[M+Na]+	245.06968	154.4
[M-H]-	221.07318	145.3
[M+NH4]+	240.11428	163.8
[M+K]+	261.04362	149.9
[M+H-H2O]+	205.07772	138.8
[M+HCOO]-	267.07866	165.4
[M+CH3COO]-	281.09431	186.4
[M+Na-2H]-	243.05513	148.6
[M]+	222.07991	143.0
[M]-	222.08101	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe