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

118
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

literature stripe

Patent stripe

patents stripe