N-Fluoro-3,5-dichloropyridinium triflate(107264-06-2) IR2
Product NameN-Fluoro-3,5-dichloropyridinium triflate
CAS107264-06-2
Molecular FormulaC6H3Cl2F4NO3S
Molecular Weight316.06
InChIInChI=1S/C5H3Cl2FN.CHF3O3S/c6-4-1-5(7)3-9(8)2-4;2-1(3,4)8(5,6)7/h1-3H;(H,5,6,7)/q+1;/p-1
InChIKey ZSTJMYZXBGCMIG-UHFFFAOYSA-M
SmilesC(F)(F)(F)S([O-])(=O)=O.C1(Cl)C=[N+](C=C(Cl)C=1)F
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MassMS-IW-5565 3,5-dichloro-1-fluoropyridinium trifluoromethanesulfonate C6H3Cl2F4NO3S (Mass of molecular ion: 315)
Source Temperature: 190 °C Sample Temperature: 240 °C Direct, 75 eV
17.0 2.2 18.0 12.1 20.0 9.5 23.0 2.1 27.0 1.6 28.0 10.4 31.0 2.3 36.0 8.8 37.0 7.3 38.0 4.3 39.0 1.2 41.0 1.6 43.0 1.4 44.0 4.3 47.0 4.7 48.0 9.4 49.0 4.9 50.0 14.0 51.0 3.3 52.0 1.4 53.0 1.3 55.0 2.0 56.0 1.2 57.0 1.5 60.0 4.0 61.0 2.3 62.0 3.7 63.0 2.6 64.0 28.7 65.0 8.4 66.0 4.6 67.0 2.2 67.5 1.4 68.0 4.3 68.5 1.0 69.0 100.0 70.0 2.0 71.0 2.9 72.0 12.0 73.0 8.1 74.0 11.4 75.0 6.6 76.0 6.6 81.0 3.7 82.5 1.0 83.0 2.3 84.0 3.8 85.0 17.2 86.0 2.9 87.0 3.4 91.0 1.1 94.0 2.7 95.0 2.1 96.0 5.4 97.0 1.1 98.0 3.3 99.0 2.6 100.0 5.7 101.0 1.3 102.0 2.4 103.0 5.4 104.0 1.0 105.0 1.8 106.0 1.0 107.0 15.3 108.0 3.8 109.0 10.0 110.0 11.7 111.0 3.4 112.0 15.1 113.0 1.6 114.0 4.7 119.0 1.1 120.0 2.5 122.0 1.1 127.0 1.5 128.0 2.2 129.0 1.9 130.0 29.7 131.0 4.4 132.0 12.8 133.0 2.7 134.0 45.0 135.0 12.4 136.0 28.4 137.0 7.7 138.0 7.3 139.0 1.6 140.0 1.7 146.0 19.1 147.0 30.1 148.0 10.0 149.0 15.2 150.0 2.7 151.0 2.5 162.0 7.4 163.0 15.5 164.0 5.6 165.0 52.9 166.0 4.4 167.0 28.9 168.0 5.6 169.0 4.9 170.0 1.5 181.0 9.1 183.0 6.7 184.0 1.4 185.0 2.6 186.0 1.4 187.0 1.1 188.0 1.2 195.0 2.4 196.0 7.9 198.0 2.7 203.0 55.0 204.0 3.3 205.0 35.1 206.0 2.1 207.0 5.5 231.0 19.4 232.0 1.4 233.0 12.4 235.0 1.9 257.0 2.0 259.0 1.7 273.0 3.2 275.0 2.9 277.0 1.3 294.0 1.1 295.0 43.3 296.0 5.1 297.0 26.2 298.0 2.0 299.0 3.6
KBr disc
nujol mull
