CID 76411

1,3-benzenedicarbonyl diazide

Structural Information

Molecular Formula
C8H4N6O2
SMILES
C1=CC(=CC(=C1)C(=O)N=[N+]=[N-])C(=O)N=[N+]=[N-]
InChI
InChI=1S/C8H4N6O2/c9-13-11-7(15)5-2-1-3-6(4-5)8(16)12-14-10/h1-4H
InChIKey
OYSSCEMVGJEQHM-UHFFFAOYSA-N
Compound name
benzene-1,3-dicarbonyl azide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

216.03957 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04685 142.3
[M+Na]+ 239.02879 147.7
[M-H]- 215.03229 150.9
[M+NH4]+ 234.07339 159.6
[M+K]+ 255.00273 138.4
[M+H-H2O]+ 199.03683 142.8
[M+HCOO]- 261.03777 177.7
[M+CH3COO]- 275.05342 192.3
[M+Na-2H]- 237.01424 154.3
[M]+ 216.03902 137.7
[M]- 216.04012 137.7
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