CID 160426

4-[(4-methoxyphenyl)amino]benzenediazonium

Structural Information

Molecular Formula
C13H12N3O
SMILES
COC1=CC=C(C=C1)NC2=CC=C(C=C2)[N+]#N
InChI
InChI=1S/C13H12N3O/c1-17-13-8-6-11(7-9-13)15-10-2-4-12(16-14)5-3-10/h2-9,15H,1H3/q+1
InChIKey
VTTTXQSHPXIRJX-UHFFFAOYSA-N
Compound name
4-(4-methoxyanilino)benzenediazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

73
Patents

226.09804 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10532 155.9
[M+Na]+ 249.08726 165.3
[M-H]- 225.09076 162.7
[M+NH4]+ 244.13186 171.6
[M+K]+ 265.06120 156.3
[M+H-H2O]+ 209.09530 143.9
[M+HCOO]- 271.09624 179.4
[M+CH3COO]- 285.11189 201.5
[M+Na-2H]- 247.07271 164.5
[M]+ 226.09749 150.5
[M]- 226.09859 150.5
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