CID 519640

Diazene, bis(2,4,6-trinitrophenyl)-

Structural Information

Molecular Formula
C12H4N8O12
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])N=NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H4N8O12/c21-15(22)5-1-7(17(25)26)11(8(2-5)18(27)28)13-14-12-9(19(29)30)3-6(16(23)24)4-10(12)20(31)32/h1-4H
InChIKey
PSDIVOYKWCKHLG-UHFFFAOYSA-N
Compound name
bis(2,4,6-trinitrophenyl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

25
Patents

451.99487 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.00215 175.6
[M+Na]+ 474.98409 178.9
[M+NH4]+ 470.02869 183.1
[M+K]+ 490.95803 188.5
[M-H]- 450.98759 175.3
[M+Na-2H]- 472.96954 174.1
[M]+ 451.99432 178.1
[M]- 451.99542 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe