2,4,6-trinitrobenzene-1,3,5-triamine (3058-38-6) MS
Product Name2,4,6-trinitrobenzene-1,3,5-triamine
CAS3058-38-6
Molecular FormulaC6H6N6O6
Molecular Weight258.15
InChIInChI=1S/C6H6N6O6/c7-1-4(10(13)14)2(8)6(12(17)18)3(9)5(1)11(15)16/h7-9H2
InChIKey JDFUJAMTCCQARF-UHFFFAOYSA-N
SmilesC1(N)=C([N+]([O-])=O)C(N)=C([N+]([O-])=O)C(N)=C1[N+]([O-])=O
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MassMS-IW-3309 2,4,6-trinitro-1,3,5-benzenetriamine C6H6N6O6 (Mass of molecular ion: 258)
Source Temperature: 170 °C Sample Temperature: 160 °C Direct, 75 eV
28.0 6.0 30.0 2.4 39.0 1.3 40.0 2.8 41.0 1.6 42.0 2.0 43.0 2.1 44.0 3.3 51.0 1.2 52.0 6.7 53.0 4.0 54.0 3.5 55.0 1.2 63.0 1.1 64.0 3.2 65.0 3.2 66.0 5.2 67.0 11.3 68.0 4.4 69.0 2.9 70.0 1.5 76.0 1.9 77.0 3.6 78.0 2.3 79.0 4.5 80.0 3.9 81.0 1.1 90.0 2.2 91.0 8.3 92.0 7.6 93.0 4.8 94.0 1.8 95.0 2.1 103.0 1.1 104.0 5.5 105.0 1.5 106.0 1.2 107.0 2.0 108.0 2.8 118.0 2.8 119.0 8.4 120.0 5.1 121.0 1.4 122.0 1.9 131.0 2.4 132.0 2.4 134.0 1.5 135.0 1.0 136.0 1.2 137.0 1.7 147.0 3.2 148.0 1.2 149.0 1.4 154.0 1.0 164.0 1.6 165.0 5.2 166.0 1.7 182.0 3.9 224.0 5.0 225.0 2.9 228.0 16.9 229.0 1.5 241.0 1.8 242.0 3.3 258.0 100.0 259.0 8.9 260.0 1.6
KBr disc
nujol mull
