2,5-DIBROMO-3,4-DINITROTHIOPHENE(52431-30-8) MS
Product Name2,5-DIBROMO-3,4-DINITROTHIOPHENE
CAS52431-30-8
Molecular FormulaC4Br2N2O4S
Molecular Weight331.93
InChIInChI=1S/C4Br2N2O4S/c5-3-1(7(9)10)2(8(11)12)4(6)13-3
InChIKey AHGHPBPARMANQD-UHFFFAOYSA-N
SmilesC1(Br)SC(Br)=C([N+]([O-])=O)C=1[N+]([O-])=O
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MassMS-IW-2601 2,5-dibromo-3,4-dinitrothiophene C4Br2N2O4S (Mass of molecular ion: 330)
Source Temperature: 120 °C Sample Temperature: 90 °C Direct, 75 eV
28.0 5.3 30.0 69.3 32.0 1.6 36.0 3.6 38.0 1.6 44.0 9.2 46.0 4.5 56.0 1.7 68.0 8.7 70.0 3.8 79.0 1.6 80.0 48.1 81.0 3.4 82.0 4.1 84.0 1.5 86.0 9.7 91.0 2.0 93.0 1.9 94.0 1.1 96.0 4.2 98.0 3.2 107.0 6.3 109.0 6.1 115.0 6.0 117.0 6.3 123.0 27.5 125.0 27.9 127.0 2.2 129.0 1.8 131.0 45.9 132.0 1.5 133.0 44.0 134.0 1.5 135.0 2.0 137.0 1.4 147.0 25.2 148.0 1.0 149.0 24.9 150.0 1.0 151.0 1.2 159.0 65.6 160.0 3.5 161.0 67.2 162.0 3.5 163.0 6.9 165.0 3.8 175.0 7.8 177.0 10.2 179.0 2.7 196.0 1.3 216.0 1.5 226.0 1.6 228.0 3.2 230.0 1.6 238.0 3.1 240.0 6.2 242.0 3.3 254.0 2.2 256.0 4.4 258.0 2.4 272.0 1.7 274.0 3.3 276.0 1.8 300.0 19.0 301.0 1.1 302.0 38.0 303.0 2.2 304.0 20.0 305.0 1.1 314.0 1.5 316.0 3.0 318.0 1.6 330.0 49.9 331.0 3.2 332.0 100.0 333.0 6.1 334.0 52.6 335.0 3.2 336.0 2.6
KBr disc
nujol mull
