CID 105954

67875-31-4

Structural Information

Molecular Formula
C16H11N4
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C3=CC=CC=C32)[N+]#N
InChI
InChI=1S/C16H11N4/c17-18-15-10-11-16(14-9-5-4-8-13(14)15)20-19-12-6-2-1-3-7-12/h1-11H/q+1
InChIKey
ZCOCPHJHCPFENN-UHFFFAOYSA-N
Compound name
4-phenyldiazenylnaphthalene-1-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.09836 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10564 167.1
[M+Na]+ 282.08758 177.1
[M-H]- 258.09108 176.1
[M+NH4]+ 277.13218 182.9
[M+K]+ 298.06152 165.9
[M+H-H2O]+ 242.09562 153.7
[M+HCOO]- 304.09656 192.5
[M+CH3COO]- 318.11221 213.3
[M+Na-2H]- 280.07303 177.7
[M]+ 259.09781 162.0
[M]- 259.09891 162.0
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.