3-Chloro-N-{methyl(oxo)[5-(trifluoromethyl)-2-pyridinyl]-λ6-sulfanylidene}-5-(trifluoromethyl)-2-pyridinecarboxamide

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Systematic / IUPAC Name: 3-Chloro-N-{methyl(oxido)[5-(trifluoromethyl)-2-pyridinyl]-λ6-sulfanylidene}-5-(trifluoromethyl)-2-pyridinecarboxamide

ID: Reference5600

Other Names: 2-Pyridinecarboxamide, 3-chloro-N-[methyloxido[5-(trifluoromethyl)-2-pyridinyl]sulfanylidene]-5-(trifluoromethyl)-

Formula: C14H8ClF6N3O2S

Spectral Data

3-Chloro-N-{methyl(oxo)[5-(trifluoromethyl)-2-pyridinyl]-λ6-sulfanylidene}-5-(trifluoromethyl)-2-pyridinecarboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/13/2016 9:15:58 AM
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Identificators

InChI InChI=1S/C14H8ClF6N3O2S/c1-27(26,10-3-2-7(5-22-10)13(16,17)18)24-12(25)11-9(15)4-8(6-23-11)14(19,20)21/h2-6H,1H3
InChI Key BQTUVMXCJYCJBW-UHFFFAOYSA-N
Canonical SMILES CS(=NC(=O)C1=C(C=C(C=N1)C(F)(F)F)Cl)(=O)C2=NC=C(C=C2)C(F)(F)F
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Other Names 2-Pyridinecarboxamide, 3-chloro-N-[methyloxido[5-(trifluoromethyl)-2-pyridinyl]sulfanylidene]-5-(trifluoromethyl)-

In Other Databases

PubChem 2821906
ChemSpider 2100127