CID 13697970

2-chloro-6-(2-chlorophenyl)-13-phenyl-5h-dibenzo(d,h)(1,3,6)triazonine

Structural Information

Molecular Formula
C26H17Cl2N3
SMILES
C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NC4=CC=CC=C4N2)C5=CC=CC=C5Cl)Cl
InChI
InChI=1S/C26H17Cl2N3/c27-18-14-15-22-20(16-18)25(17-8-2-1-3-9-17)29-23-12-6-7-13-24(23)31-26(30-22)19-10-4-5-11-21(19)28/h1-16,29H
InChIKey
MIODVHSKTODDAC-UHFFFAOYSA-N
Compound name
2-chloro-6-(2-chlorophenyl)-13-phenyl-12H-benzo[d][1,3,7]benzotriazonine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.07996 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.08724 212.3
[M+Na]+ 464.06918 206.0
[M-H]- 440.07268 208.9
[M+NH4]+ 459.11378 209.1
[M+K]+ 480.04312 207.3
[M+H-H2O]+ 424.07722 200.7
[M+HCOO]- 486.07816 209.4
[M+CH3COO]- 500.09381 209.7
[M+Na-2H]- 462.05463 209.9
[M]+ 441.07941 209.1
[M]- 441.08051 209.1
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.