CID 12132

Bendazol

Structural Information

Molecular Formula

C₁₄H₁₂N₂

SMILES

C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C14H12N2/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)

InChIKey

YTLQFZVCLXFFRK-UHFFFAOYSA-N

Compound name

2-benzyl-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 76
References: 2881
Patents: 208.10005 Da
Monoisotopic Mass: 3.2
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]+	209.10733	144.3
[M+Na]+	231.08927	154.0
[M-H]-	207.09277	148.3
[M+NH4]+	226.13387	162.5
[M+K]+	247.06321	147.9
[M+H-H2O]+	191.09731	136.1
[M+HCOO]-	253.09825	166.6
[M+CH3COO]-	267.11390	157.2
[M+Na-2H]-	229.07472	152.5
[M]+	208.09950	143.9
[M]-	208.10060	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe