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5-Fluoro PB-22 3-carboxyindole metabolite
SpectraBase Compound ID 2M2xs9PfOzn
InChI InChI=1S/C14H16FNO2/c15-8-4-1-5-9-16-10-12(14(17)18)11-6-2-3-7-13(11)16/h2-3,6-7,10H,1,4-5,8-9H2,(H,17,18)
InChIKey DYLIZXRQZRUDLA-UHFFFAOYSA-N
Mol Weight 249.29 g/mol
Molecular Formula C14H16FNO2
Exact Mass 249.116507 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ClLghdgGs7k
Name 5-Fluoro-PB-22 3-carboxyindole metabolite
Alternate Name(s) 1-(5-fluoropentyl)-1H-indole-3-carboxylic acid 5F-PB-22 3-carboxyindole metabolite
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16FNO2
InChI InChI=1S/C14H16FNO2/c15-8-4-1-5-9-16-10-12(14(17)18)11-6-2-3-7-13(11)16/h2-3,6-7,10H,1,4-5,8-9H2,(H,17,18)
InChIKey DYLIZXRQZRUDLA-UHFFFAOYSA-N
Molecular Weight 249.285 g/mol
SMILES OC(c1c[n](c2c1cccc2)CCCCCF)=O
SPLASH splash10-00di-2920000000-6ed5912a262378d77fd8
Source of Spectrum SWG-33-4645-0
Wiley ID 1811241