5-Thioxo-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazolan-3-one

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Systematic / IUPAC Name: 5-Thioxo-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazolidin-3-one

ID: Reference3806

Other Names: 1,2,4-Triazolidin-3-one, 5-thioxo-4-[3-(trifluoromethyl)phenyl]-

Formula: C9H6F3N3OS

Spectral Data

5-Thioxo-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazolan-3-one 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 2:03:03 PM
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Identificators

InChI InChI=1S/C9H6F3N3OS/c10-9(11,12)5-2-1-3-6(4-5)15-7(16)13-14-8(15)17/h1-4H,(H,13,16)(H,14,17)
InChI Key MKUCSZWKTPEFFQ-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CC(=C1)N2C(=O)NNC2=S)C(F)(F)F
CAS
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Other Names 1,2,4-Triazolidin-3-one, 5-thioxo-4-[3-(trifluoromethyl)phenyl]-

In Other Databases

ChemSpider 2102127
PubChem 2823925