CID 230916

5466-47-7

Structural Information

Molecular Formula
C16H9N3O2
SMILES
C1=CC=C(C=C1)N2C3=C(C(=O)C4=CC=CC=C4C3=O)N=N2
InChI
InChI=1S/C16H9N3O2/c20-15-11-8-4-5-9-12(11)16(21)14-13(15)17-18-19(14)10-6-2-1-3-7-10/h1-9H
InChIKey
KXGSYSDSQRXROA-UHFFFAOYSA-N
Compound name
3-phenylbenzo[f]benzotriazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

275.0695 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.07678 161.9
[M+Na]+ 298.05872 173.3
[M-H]- 274.06222 167.3
[M+NH4]+ 293.10332 177.7
[M+K]+ 314.03266 167.1
[M+H-H2O]+ 258.06676 152.2
[M+HCOO]- 320.06770 181.1
[M+CH3COO]- 334.08335 174.0
[M+Na-2H]- 296.04417 167.8
[M]+ 275.06895 162.9
[M]- 275.07005 162.9
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