CID 92100

3-fluoro-dl-tyrosine

Structural Information

Molecular Formula

C₉H₁₀FNO₃

SMILES

C1=CC(=C(C=C1CC(C(=O)O)N)F)O

InChI

InChI=1S/C9H10FNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)

InChIKey

VIIAUOZUUGXERI-UHFFFAOYSA-N

Compound name

2-amino-3-(3-fluoro-4-hydroxyphenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 66
References: 1805
Patents: 199.06447 Da
Monoisotopic Mass: -2.3
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]+	200.07175	141.2
[M+Na]+	222.05369	150.1
[M+NH4]+	217.09829	146.8
[M+K]+	238.02763	146.8
[M-H]-	198.05719	139.8
[M+Na-2H]-	220.03914	144.4
[M]+	199.06392	141.5
[M]-	199.06502	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe