CID 56494

Fluorodopa (18f)

Structural Information

Molecular Formula
C9H10FNO4
SMILES
C1=C(C(=CC(=C1O)O)[18F])C[C@@H](C(=O)O)N
InChI
InChI=1S/C9H10FNO4/c10-5-3-8(13)7(12)2-4(5)1-6(11)9(14)15/h2-3,6,12-13H,1,11H2,(H,14,15)/t6-/m0/s1/i10-1
InChIKey
PAXWQORCRCBOCU-RPDRGXCHSA-N
Compound name
(2S)-2-amino-3-(2-(18F)fluoranyl-4,5-dihydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

906
References

1411
Patents

214.06192 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.06920 142.9
[M+Na]+ 237.05114 150.4
[M-H]- 213.05464 141.4
[M+NH4]+ 232.09574 159.1
[M+K]+ 253.02508 147.8
[M+H-H2O]+ 197.05918 136.7
[M+HCOO]- 259.06012 161.2
[M+CH3COO]- 273.07577 183.9
[M+Na-2H]- 235.03659 143.6
[M]+ 214.06137 139.2
[M]- 214.06247 139.2
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