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2-Chloro-4-[4-(trifluoromethyl)phenyl]nicotinonitrile
SpectraBase Compound ID GqcISu8EuUQ
InChI InChI=1S/C13H6ClF3N2/c14-12-11(7-18)10(5-6-19-12)8-1-3-9(4-2-8)13(15,16)17/h1-6H
InChIKey MKENBKXAFCXQFC-UHFFFAOYSA-N
Mol Weight 282.65 g/mol
Molecular Formula C13H6ClF3N2
Exact Mass 282.01716 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1NoM3m27RJD
Name 2-Chloro-4-[4-(trifluoromethyl)phenyl]nicotinonitrile
Alternate Name(s) 2-Chloro-4-(4-(trifluoromethyl)phenyl)nicotinonitrile
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Formula C13H6ClF3N2
InChI InChI=1S/C13H6ClF3N2/c14-12-11(7-18)10(5-6-19-12)8-1-3-9(4-2-8)13(15,16)17/h1-6H
InChIKey MKENBKXAFCXQFC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201403688
Molecular Weight 282.653 g/mol
SMILES c1c(ccc(c1)-c1c(c(ncc1)Cl)C#N)C(F)(F)F
SPLASH splash10-001i-0090000000-143b0a7ee2827bc6ed3d
Source of Spectrum ACI-53-SM27-7b
Wiley ID 1782659