CID 737733

90514-72-0

Structural Information

Molecular Formula

C₁₄H₁₀N₂O

SMILES

C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)C=O

InChI

InChI=1S/C14H10N2O/c17-9-11-5-7-12(8-6-11)16-10-15-13-3-1-2-4-14(13)16/h1-10H

InChIKey

RAYKWSXEKZURTM-UHFFFAOYSA-N

Compound name

4-(benzimidazol-1-yl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 32
Patents: 222.07932 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]+	223.08660	147.5
[M+Na]+	245.06854	164.3
[M+NH4]+	240.11314	156.7
[M+K]+	261.04248	157.4
[M-H]-	221.07204	151.7
[M+Na-2H]-	243.05399	157.7
[M]+	222.07877	151.2
[M]-	222.07987	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe