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N-(1-(4-chlorophenyl)-1-cyano-3,3,3-trifluoropropyl)-1,1,1-trifluoromethane-sulfonamide
SpectraBase Compound ID 5rgvaMsumbx
InChI InChI=1S/C11H7ClF6N2O2S/c12-8-3-1-7(2-4-8)9(6-19,5-10(13,14)15)20-23(21,22)11(16,17)18/h1-4,20H,5H2
InChIKey ZBJJTQFQUOHNRW-UHFFFAOYSA-N
Mol Weight 380.69 g/mol
Molecular Formula C11H7ClF6N2O2S
Exact Mass 379.982095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lKE8QxxHt7
Name N-(1-(4-chlorophenyl)-1-cyano-3,3,3-trifluoropropyl)-1,1,1-trifluoromethane-sulfonamide
Appearance Yellow liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.982095323 u
Formula C11H7ClF6N2O2S
InChI InChI=1S/C11H7ClF6N2O2S/c12-8-3-1-7(2-4-8)9(6-19,5-10(13,14)15)20-23(21,22)11(16,17)18/h1-4,20H,5H2
InChIKey ZBJJTQFQUOHNRW-UHFFFAOYSA-N
Instrument Name FINNIGAN SSQ or 7000 Thermo Deca XP
Ionization Type EI
Literature Reference DOI 10.1002/chem.202201830
Molecular Weight 380.692 g/mol
Quality 349
Reported Formula C11H7O2N2ClF6S
SMILES N(C(C=1C=CC(=CC1)Cl)(CC(F)(F)F)C#N)S(C(F)(F)F)(=O)=O
SPLASH splash10-000t-0393000000-6905f6a95ed7e53c21a5
Source of Spectrum QE-28-SM18-7g (DOI: 10.1002/chem.202201830)
Wiley ID 1900629