CID 239695

6299-90-7

Structural Information

Molecular Formula

C₁₃H₉N₃

SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=N2

InChI

InChI=1S/C13H9N3/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-16-13/h1-9H

InChIKey

ANTRTFJLKRDGLU-UHFFFAOYSA-N

Compound name

3-phenyl-1,2,4-benzotriazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 207.07965 Da
Monoisotopic Mass: 2.3
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]+	208.08693	144.6
[M+Na]+	230.06887	154.1
[M-H]-	206.07237	148.1
[M+NH4]+	225.11347	160.0
[M+K]+	246.04281	148.7
[M+H-H2O]+	190.07691	134.6
[M+HCOO]-	252.07785	164.9
[M+CH3COO]-	266.09350	156.9
[M+Na-2H]-	228.05432	155.8
[M]+	207.07910	143.8
[M]-	207.08020	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe