1-BROMO-2-CHLORO-1,1,2-TRIFLUORO-3-BUTENE(374-25-4) MS
Product Name1-BROMO-2-CHLORO-1,1,2-TRIFLUORO-3-BUTENE
CAS374-25-4
Molecular FormulaC4H3BrClF3
Molecular Weight223.42
InChIInChI=1S/C4H3BrClF3/c1-2-3(6,7)4(5,8)9/h2H,1H2
InChIKey VULPFOSLGWWARI-UHFFFAOYSA-N
SmilesC=CC(Cl)(F)C(Br)(F)F
-
MassMS-IW-8212 4-bromo-3-chloro-3,4,4-trifluoro-1-butene C4H3BrClF3 (Mass of molecular ion: 222)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.9 27.0 3.4 31.0 4.2 37.0 3.2 38.0 3.5 39.0 5.8 44.0 1.0 49.0 1.3 50.0 2.0 51.0 3.1 55.0 1.4 56.0 3.5 57.0 10.5 58.0 2.7 64.0 3.0 67.0 13.7 68.0 1.6 69.0 5.1 73.0 3.0 75.0 3.3 77.0 5.3 79.0 1.2 81.0 1.1 82.0 1.5 85.0 1.6 87.0 1.3 88.0 3.1 89.0 3.2 91.0 1.2 93.0 100.0 94.0 3.6 95.0 34.5 96.0 1.7 106.0 1.0 107.0 2.9 108.0 19.5 109.0 1.6 111.0 1.0 116.0 2.7 118.0 1.0 123.0 4.4 124.0 4.3 125.0 2.5 126.0 2.2 129.0 2.7 131.0 2.6 137.0 3.0 139.0 2.9 143.0 54.1 144.0 2.9 145.0 17.3 146.0 1.1 160.0 1.5 187.0 5.1 189.0 5.0
400 MHz in CDCl3
-
1H NMR 399.65 MHz C4 H3 Br Cl F3 0.05 ml : 0.5 ml CDCl3 4-bromo-3-chloro-3,4,4-trifluoro-1-butene 
Assign. Shift(ppm)
A 6.096 B 5.902 C 5.682
Hz ppm Int.2461.06 6.159 91 2460.57 6.157 99 2460.08 6.156 106 2459.59 6.155 91 2450.32 6.132 104 2449.71 6.130 113 2449.34 6.129 121 2448.73 6.128 108 2444.09 6.116 220 2443.60 6.115 235 2443.12 6.114 237 2433.35 6.089 248 2432.86 6.088 263 2432.37 6.087 268 2427.73 6.075 139 2427.25 6.074 151 2426.76 6.073 161 2426.27 6.071 138 2416.99 6.048 153 2416.50 6.047 169 2416.02 6.046 182 2415.53 6.045 157 2365.84 5.920 1000 2348.88 5.878 675 2277.34 5.699 407 2276.73 5.697 446 2275.76 5.695 444 2275.15 5.693 427 2266.48 5.672 369 2265.87 5.670 400 2265.01 5.668 402 2264.53 5.667 383
in CDCl3
liquid film
