CID 16130963

Diazene, bis(2,2',4,4',6,6'-hexanitro(1,1'-biphenyl)-3-yl)-

Structural Information

Molecular Formula
C24H6N14O24
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])C2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N=NC3=C(C=C(C(=C3[N+](=O)[O-])C4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C24H6N14O24/c39-27(40)7-1-9(29(43)44)17(10(2-7)30(45)46)19-13(33(51)52)5-15(35(55)56)21(23(19)37(59)60)25-26-22-16(36(57)58)6-14(34(53)54)20(24(22)38(61)62)18-11(31(47)48)3-8(28(41)42)4-12(18)32(49)50/h1-6H
InChIKey
JZMIVRJYBGBHRC-UHFFFAOYSA-N
Compound name
bis[2,4,6-trinitro-3-(2,4,6-trinitrophenyl)phenyl]diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

873.96796 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 874.97524 245.7
[M+Na]+ 896.95718 245.8
[M-H]- 872.96068 245.7
[M+NH4]+ 892.00178 245.8
[M+K]+ 912.93112 246.0
[M+H-H2O]+ 856.96522 245.8
[M+HCOO]- 918.96616 246.1
[M+CH3COO]- 932.98181 245.4
[M+Na-2H]- 894.94263 246.6
[M]+ 873.96741 245.8
[M]- 873.96851 245.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe