5-({[5-(Trifluoromethyl)-2-pyridyl]sulfonyl}methyl)-2,1,3-benzoxadiazole

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Systematic / IUPAC Name: 5-({[5-(Trifluoromethyl)-2-pyridinyl]sulfonyl}methyl)-2,1,3-benzoxadiazole

ID: Reference3796

Other Names: 5-{[5-(Trifluoromethyl)pyridine-2-sulfonyl]methyl}-2,1,3-benzoxadiazole

Formula: C13H8F3N3O3S

Spectral Data

5-({[5-(Trifluoromethyl)-2-pyridyl]sulfonyl}methyl)-2,1,3-benzoxadiazole 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 2/11/2016 10:44:32 AM
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Identificators

InChI InChI=1S/C13H8F3N3O3S/c14-13(15,16)9-2-4-12(17-6-9)23(20,21)7-8-1-3-10-11(5-8)19-22-18-10/h1-6H,7H2
InChI Key YEGXTONEGCAZPR-UHFFFAOYSA-N
Canonical SMILES C1=CC2=NON=C2C=C1CS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F
CAS
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Other Names 5-{[5-(Trifluoromethyl)pyridine-2-sulfonyl]methyl}-2,1,3-benzoxadiazole

In Other Databases

ChemSpider 2099951
PubChem 2821727