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1-(4-Fluorophenyl)-6-methylpyridazinium trifluoroacetate
SpectraBase Compound ID H7wOCHg0utw
InChI InChI=1S/C11H10FN2.C2HF3O2/c1-9-3-2-8-13-14(9)11-6-4-10(12)5-7-11;3-2(4,5)1(6)7/h2-8H,1H3;(H,6,7)/q+1;/p-1
InChIKey LFUYKUUMXXFJBS-UHFFFAOYSA-M
Mol Weight 302.23 g/mol
Molecular Formula C13H10F4N2O2
Exact Mass 302.06784 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LESfrZbZVLq
Name 1-(4-Fluorophenyl)-6-methylpyridazinium trifluoroacetate
Alternate Name(s) 1-(4-fluorophenyl)-6-methylpyridazin-1-ium 2,2,2-trifluoroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10F4N2O2
InChI InChI=1S/C11H10FN2.C2HF3O2/c1-9-3-2-8-13-14(9)11-6-4-10(12)5-7-11;3-2(4,5)1(6)7/h2-8H,1H3;(H,6,7)/q+1;/p-1
InChIKey LFUYKUUMXXFJBS-UHFFFAOYSA-M
Literature Reference DOI 10.1002/anie.201406175
Molecular Weight 302.229 g/mol
SMILES C(C(F)(F)F)([O-])=O.c1(F)ccc(-[n+]2ncccc2C)cc1
SPLASH splash10-000i-1900000000-6040c89e738ec3891bdc
Source of Spectrum ACI-53-SM11-18
Wiley ID 1782756