CID 643330

3-fluoro-l-tyrosine

Structural Information

Molecular Formula
C9H10FNO3
SMILES
C1=CC(=C(C=C1C[C@@H](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)/t7-/m0/s1
InChIKey
VIIAUOZUUGXERI-ZETCQYMHSA-N
Compound name
(2S)-2-amino-3-(3-fluoro-4-hydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

66
References

1816
Patents

199.06447 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.071746 140.2
[M+Na]+ 222.053688 147.4
[M-H]- 198.057194 139.8
[M+NH4]+ 217.098293 157.5
[M+K]+ 238.027628 144.9
[M+H-H2O]+ 182.061730 133.8
[M+HCOO]- 244.062671 159.9
[M+CH3COO]- 258.078321 182.7
[M+Na-2H]- 220.039136 142.0
[M]+ 199.06392142 136.5
[M]- 199.06501858 136.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe