CID 119714

Benzenediazonium, 2,5-dimethoxy-4-[2-(4-nitrophenyl)diazenyl]-

Structural Information

Molecular Formula
C14H12N5O4
SMILES
COC1=CC(=C(C=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])OC)[N+]#N
InChI
InChI=1S/C14H12N5O4/c1-22-13-8-12(14(23-2)7-11(13)16-15)18-17-9-3-5-10(6-4-9)19(20)21/h3-8H,1-2H3/q+1
InChIKey
AXQTUUPVMIBBKV-UHFFFAOYSA-N
Compound name
2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]benzenediazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

84
Patents

314.08893 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09621 178.2
[M+Na]+ 337.07815 186.0
[M-H]- 313.08165 186.7
[M+NH4]+ 332.12275 190.0
[M+K]+ 353.05209 175.9
[M+H-H2O]+ 297.08619 168.3
[M+HCOO]- 359.08713 204.7
[M+CH3COO]- 373.10278 217.2
[M+Na-2H]- 335.06360 186.6
[M]+ 314.08838 174.9
[M]- 314.08948 174.9
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.