CID 79869

5805-39-0

Structural Information

Molecular Formula

C₁₃H₁₁N₃

SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)N

InChI

InChI=1S/C13H11N3/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,14H2,(H,15,16)

InChIKey

YWNXHTNWOQHFRL-UHFFFAOYSA-N

Compound name

2-(1H-benzimidazol-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 19
References: 382
Patents: 209.09529 Da
Monoisotopic Mass: 2.6
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]+	210.10257	144.5
[M+Na]+	232.08451	159.8
[M+NH4]+	227.12911	153.7
[M+K]+	248.05845	153.7
[M-H]-	208.08801	149.1
[M+Na-2H]-	230.06996	154.2
[M]+	209.09474	148.0
[M]-	209.09584	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe