| SpectraBase Spectrum ID |
8L2ntdFTH5C |
| Name |
1-Azoniabicyclo[2.2.2]octane, 1-[[[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino]sulfonyl]-, hydroxide, inner salt |
| Alternate Name(s) |
1-{[(1,1,1,3,3,3-hexafluoropropan-2-yl)azanidyl]sulfonyl}-1-azabicyclo[2.2.2]octan-1-ium
N-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]sulfimide-quinuclidine adduct |
| CAS Registry Number |
107914-98-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H14F6N2O2S |
| InChI |
InChI=1S/C10H14F6N2O2S/c11-9(12,13)8(10(14,15)16)17-21(19,20)18-4-1-7(2-5-18)3-6-18/h7-8H,1-6H2 |
| InChIKey |
USTOTAFKMMBWTF-UHFFFAOYSA-N |
| Molecular Weight |
340.284 g/mol |
| SMILES |
C1[N+]2(S([N-]C(C(F)(F)F)C(F)(F)F)(=O)=O)CCC(C1)CC2 |
| SPLASH |
splash10-03di-0900000000-456ea0bc50a9ef1a7985 |
| Source of Spectrum |
K-120-1194-9 |
| Wiley ID |
1334776 |
![1-Azoniabicyclo[2.2.2]octane, 1-[[[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino]sulfonyl]-, hydroxide, inner salt](/api/spectrum/8L2ntdFTH5C/structure.png?h=300&w=458 "1-Azoniabicyclo[2.2.2]octane, 1-[[[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino]sulfonyl]-, hydroxide, inner salt")
