CID 71030

1211-08-1

Structural Information

Molecular Formula

C₁₂H₁₀N₄

SMILES

C1=CC=C(C(=C1)N)N2N=C3C=CC=CC3=N2

InChI

InChI=1S/C12H10N4/c13-9-5-1-4-8-12(9)16-14-10-6-2-3-7-11(10)15-16/h1-8H,13H2

InChIKey

WEZAEJUVUHTITP-UHFFFAOYSA-N

Compound name

2-(benzotriazol-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 210.09055 Da
Monoisotopic Mass: 3.6
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]+	211.09783	143.8
[M+Na]+	233.07977	159.5
[M+NH4]+	228.12437	152.6
[M+K]+	249.05371	153.7
[M-H]-	209.08327	148.0
[M+Na-2H]-	231.06522	153.9
[M]+	210.09000	147.3
[M]-	210.09110	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe