2-Fluoro-3-methylpyridine(2369-18-8) MS
Product Name2-Fluoro-3-methylpyridine
CAS2369-18-8
Molecular FormulaC6H6FN
Molecular Weight111.12
InChIInChI=1S/C6H6FN/c1-5-3-2-4-8-6(5)7/h2-4H,1H3
InChIKey PHGXUFPYCAWEHK-UHFFFAOYSA-N
SmilesC1(F)=NC=CC=C1C
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MassMS2006-02984WA 2-fluoro-3-methylpyridine C6H6FN (Mass of molecular ion: 111)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
27.0 1.3 31.0 2.7 37.0 1.8 38.0 3.6 39.0 9.1 40.0 1.3 50.0 2.4 51.0 3.2 52.0 1.5 56.0 2.0 57.0 8.5 58.0 2.5 59.0 1.1 61.0 1.5 62.0 2.4 63.0 7.0 64.0 7.9 65.0 4.4 66.0 1.4 69.0 1.4 70.0 1.0 78.0 1.0 81.0 2.0 82.0 2.0 83.0 17.4 84.0 17.3 85.0 4.1 90.0 1.8 91.0 21.2 92.0 3.2 109.0 1.3 110.0 47.6 111.0 100.0 112.0 6.8
in CDCl3
parameter in TMS
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1H NMR 300 MHz C6 H6 F N in TMS 2-fluoro-3-methylpyridine 
Parameter ppm Hz
D(A) 7.997 D(B) 7.102 D(C) 7.643 D(D) 2.212 J(A,B) 5.01 J(A,C) 1.98 J(A,D) -0.7 J(A,X) -1.02 J(B,C) 7.50 J(B,D) 0.40 J(B,X) 1.83 J(C,D) -0.85 J(C,X) 9.93 J(D,X) 1.45 SCHAEFER,T. ET AL. CAN.J.CHEM. 47, 1507 (1969)
Hz ppm Int.2402.45 8.008 124 2401.64 8.005 136 2400.78 8.003 130 2399.17 7.997 79 2398.42 7.995 98 2397.50 7.992 134 2396.64 7.989 141 2395.78 7.986 129 2303.08 7.677 61 2302.27 7.674 72 2301.20 7.671 72 2300.34 7.668 59 2295.61 7.652 70 2294.69 7.649 88 2293.62 7.645 108 2292.86 7.643 113 2292.33 7.641 109 2291.30 7.638 84 2290.34 7.634 65 2285.66 7.619 64 2284.74 7.616 78 2283.78 7.613 77 2282.81 7.609 61 2137.62 7.125 97 2136.06 7.120 88 2132.62 7.109 98 2130.53 7.102 142 2128.64 7.095 89 2125.04 7.083 84 2123.64 7.079 82 663.90 2.213 995 663.46 2.212 1000
in CDCl3
Liquid film
