CID 6481538

6-chloro-3-phenyl-1,2,3-benzotriazin-4-one

Structural Information

Molecular Formula
C13H8ClN3O
SMILES
C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=N2
InChI
InChI=1S/C13H8ClN3O/c14-9-6-7-12-11(8-9)13(18)17(16-15-12)10-4-2-1-3-5-10/h1-8H
InChIKey
OJRYPEBCXORIIJ-UHFFFAOYSA-N
Compound name
6-chloro-3-phenyl-1,2,3-benzotriazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.03558 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.04286 153.8
[M+Na]+ 280.02480 166.0
[M-H]- 256.02830 157.7
[M+NH4]+ 275.06940 168.5
[M+K]+ 295.99874 159.2
[M+H-H2O]+ 240.03284 144.3
[M+HCOO]- 302.03378 169.7
[M+CH3COO]- 316.04943 166.2
[M+Na-2H]- 278.01025 162.8
[M]+ 257.03503 156.5
[M]- 257.03613 156.5
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

No patent data available for this compound.