CID 57054420

1,4-diazidobenzene

Structural Information

Molecular Formula
C6H5N6
SMILES
C1=CC(=N[N+]#N)C=CC1=NN=N
InChI
InChI=1S/C6H5N6/c7-11-9-5-1-2-6(4-3-5)10-12-8/h1-4,7H/q+1
InChIKey
GHKKYLSUHVQODP-UHFFFAOYSA-N
Compound name
3-diazonioimino-6-(iminohydrazinylidene)cyclohexa-1,4-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

256
Patents

161.05757 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06485 132.9
[M+Na]+ 184.04679 140.9
[M-H]- 160.05029 140.6
[M+NH4]+ 179.09139 151.5
[M+K]+ 200.02073 136.2
[M+H-H2O]+ 144.05483 120.7
[M+HCOO]- 206.05577 162.4
[M+CH3COO]- 220.07142 200.7
[M+Na-2H]- 182.03224 144.5
[M]+ 161.05702 125.6
[M]- 161.05812 125.6
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

No patent data available for this compound.