2-{2-[3,5-Bis(trifluoromethyl)phenyl]hydrazono}-2-(propylsulfonyl)acetonitrile

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Systematic / IUPAC Name: (2E)-{[3,5-Bis(trifluoromethyl)phenyl]hydrazono}(propylsulfonyl)acetonitrile

ID: Reference4081

Other Names: Acetonitrile, 2-{2-[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene}-2-(propylsulfonyl)-, (2E)-

Formula: C13H11F6N3O2S

Spectral Data

2-{2-[3,5-Bis(trifluoromethyl)phenyl]hydrazono}-2-(propylsulfonyl)acetonitrile 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 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/7/2016 11:55:04 AM
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Identificators

InChI InChI=1S/C13H11F6N3O2S/c1-2-3-25(23,24)11(7-20)22-21-10-5-8(12(14,15)16)4-9(6-10)13(17,18)19/h4-6,21H,2-3H2,1H3/b22-11+
InChI Key VCICTSQJDSMSKR-SSDVNMTOSA-N
Canonical SMILES CCCS(=O)(=O)C(=NNC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C#N
CAS
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Other Names Acetonitrile, 2-{2-[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene}-2-(propylsulfonyl)-, (2E)-

In Other Databases

PubChem 6374566
ChemSpider 4900541