CID 16130963

23987-32-8

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 169.3
[M+Na]+ 896.95718 169.8
[M+NH4]+ 892.00178 171.9
[M+K]+ 912.93112 173.4
[M-H]- 872.96068 170.7
[M+Na-2H]- 894.94263 168.7
[M]+ 873.96741 170.6
[M]- 873.96851 170.6
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