CID 13697962

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

Structural Information

Molecular Formula

C₂₀H₁₄ClN₃

SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC=NC4=CC=CC=C4N2)Cl

InChI

InChI=1S/C20H14ClN3/c21-15-10-11-17-16(12-15)20(14-6-2-1-3-7-14)24-19-9-5-4-8-18(19)23-13-22-17/h1-13,24H

InChIKey

JLHZFUUCYPUFCH-UHFFFAOYSA-N

Compound name

2-chloro-13-phenyl-12H-benzo[d][1,3,7]benzotriazonine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 331.08762 Da
Monoisotopic Mass: 5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	332.094896	204.6
[M+Na]+	354.076838	200.1
[M-H]-	330.080344	202.0
[M+NH4]+	349.121443	202.2
[M+K]+	370.050778	200.8
[M+H-H2O]+	314.084880	193.6
[M+HCOO]-	376.085821	202.7
[M+CH3COO]-	390.101471	203.1
[M+Na-2H]-	352.062286	203.6
[M]+	331.08707142	202.3
[M]-	331.08816858	202.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.