2,4,6-Trifluoroaniline(363-81-5) MS
Product Name2,4,6-Trifluoroaniline
CAS363-81-5
Molecular FormulaC6H4F3N
Molecular Weight147.1
InChIInChI=1S/C6H4F3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKey BJSVKBGQDHUBHZ-UHFFFAOYSA-N
SmilesC1(N)=C(F)C=C(F)C=C1F
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MassMS-NW-7662 2,4,6-trifluoroaniline C6H4F3N (Mass of molecular ion: 147)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
28.0 2.4 31.0 3.0 46.0 1.0 50.0 4.1 51.0 4.4 52.0 2.6 56.0 1.9 57.0 2.1 63.5 1.1 68.0 1.3 69.0 3.6 70.0 3.9 73.5 5.9 74.0 1.2 75.0 5.2 76.0 3.3 77.0 1.3 80.0 1.6 81.0 3.5 82.0 1.2 93.0 1.0 94.0 1.0 96.0 1.6 99.0 7.2 100.0 24.1 101.0 5.5 102.0 1.0 107.0 5.2 108.0 1.7 116.0 1.3 119.0 14.2 120.0 11.5 126.0 4.3 127.0 16.5 128.0 1.9 129.0 1.0 146.0 7.1 147.0 100.0 148.0 7.2
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C6 H4 F3 N 0.048 g : 0.5 ml CDCl3 2,4,6-trifluoroaniline 
Assign. Shift(ppm)
A 6.621 B 3.50
Hz ppm Int.614.13 6.858 39 609.44 6.805 62 608.25 6.792 25 605.44 6.761 69 601.44 6.716 580 599.69 6.696 275 594.69 6.641 361 592.94 6.621 1000 591.06 6.600 301 586.06 6.544 316 584.38 6.526 543 580.38 6.481 63 576.31 6.435 66 571.69 6.384 40 313.19 3.497 469
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1H NMR 399.65 MHz C6 H4 F3 N 0.037 g : 0.5 ml CDCl3 2,4,6-trifluoroaniline Assign. Shift(ppm)
A 6.628 B 3.55
Hz ppm Int.2657.35 6.650 624 2656.49 6.648 366 2655.52 6.645 278 2653.69 6.641 56 2650.63 6.633 297 2649.78 6.631 371 2648.80 6.628 1000 2647.83 6.626 393 2646.85 6.623 293 2641.97 6.611 269 2641.11 6.609 345 2640.26 6.607 613 1420.04 3.554 129
KBr disc
nujol mull
