CID 3034196

Benzenamine, 4-azido-n-(4-azidophenyl)-

Structural Information

Molecular Formula
C12H9N7
SMILES
C1=CC(=CC=C1NC2=CC=C(C=C2)N=[N+]=[N-])N=[N+]=[N-]
InChI
InChI=1S/C12H9N7/c13-18-16-11-5-1-9(2-6-11)15-10-3-7-12(8-4-10)17-19-14/h1-8,15H
InChIKey
MLFNCASVZNXPCI-UHFFFAOYSA-N
Compound name
4-azido-N-(4-azidophenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

251.09195 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09923 149.0
[M+Na]+ 274.08117 153.4
[M-H]- 250.08467 160.0
[M+NH4]+ 269.12577 164.4
[M+K]+ 290.05511 141.8
[M+H-H2O]+ 234.08921 147.6
[M+HCOO]- 296.09015 186.2
[M+CH3COO]- 310.10580 204.3
[M+Na-2H]- 272.06662 163.6
[M]+ 251.09140 143.4
[M]- 251.09250 143.4
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