CID 4982645

327091-71-4

Structural Information

Molecular Formula

C₁₅H₁₁ClN₂O

SMILES

C1=CC=C2C(=C1)NC(=N2)CC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H11ClN2O/c16-11-7-5-10(6-8-11)14(19)9-15-17-12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H,17,18)

InChIKey

ZMPOFUBYVROQLI-UHFFFAOYSA-N

Compound name

2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 270.056 Da
Monoisotopic Mass: 3.4
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]+	271.063276	158.7
[M+Na]+	293.045218	169.4
[M-H]-	269.048724	162.8
[M+NH4]+	288.089823	175.3
[M+K]+	309.019158	162.0
[M+H-H2O]+	253.053260	150.8
[M+HCOO]-	315.054201	175.3
[M+CH3COO]-	329.069851	170.8
[M+Na-2H]-	291.030666	163.9
[M]+	270.05545142	161.3
[M]-	270.05654858	161.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.