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6-(4-Chlorophenyl)-1-(4-fluorophenyl)pyridazinium trifluoroacetate
SpectraBase Compound ID DaAkW0Dc7dq
InChI InChI=1S/C16H11ClFN2.C2HF3O2/c17-13-5-3-12(4-6-13)16-2-1-11-19-20(16)15-9-7-14(18)8-10-15;3-2(4,5)1(6)7/h1-11H;(H,6,7)/q+1;/p-1
InChIKey OKICWUILEFDAFS-UHFFFAOYSA-M
Mol Weight 398.74 g/mol
Molecular Formula C18H11ClF4N2O2
Exact Mass 398.044518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVVE0vGodIe
Name 6-(4-Chlorophenyl)-1-(4-fluorophenyl)pyridazinium trifluoroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11ClF4N2O2
InChI InChI=1S/C16H11ClFN2.C2HF3O2/c17-13-5-3-12(4-6-13)16-2-1-11-19-20(16)15-9-7-14(18)8-10-15;3-2(4,5)1(6)7/h1-11H;(H,6,7)/q+1;/p-1
InChIKey OKICWUILEFDAFS-UHFFFAOYSA-M
Literature Reference DOI 10.1002/anie.201406175
Molecular Weight 398.745 g/mol
SMILES C(C(F)(F)F)([O-])=O.c1(ccc(cc1)-[n+]1c(-c2ccc(cc2)Cl)cccn1)F
SPLASH splash10-00ls-9660000000-8768de617dfdde55df74
Source of Spectrum ACI-53-SM21-29
Synonyms 6-(4-Chlorophenyl)-1-(4-fluorophenyl)pyridazin-1-ium 2,2,2-trifluoroacetate
Wiley ID 1782763