CID 39158450

Chembl475150

Structural Information

Molecular Formula

C₁₃H₇Cl₃N₂

SMILES

C1=CC(=CC=C1C2=NC3=CC(=C(C=C3N2)Cl)Cl)Cl

InChI

InChI=1S/C13H7Cl3N2/c14-8-3-1-7(2-4-8)13-17-11-5-9(15)10(16)6-12(11)18-13/h1-6H,(H,17,18)

InChIKey

UFCHDXLZNBBMNR-UHFFFAOYSA-N

Compound name

5,6-dichloro-2-(4-chlorophenyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 295.96747 Da
Monoisotopic Mass: 5.4
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]+	296.97475	160.4
[M+Na]+	318.95669	173.8
[M-H]-	294.96019	162.8
[M+NH4]+	314.00129	176.9
[M+K]+	334.93063	165.0
[M+H-H2O]+	278.96473	153.5
[M+HCOO]-	340.96567	167.2
[M+CH3COO]-	354.98132	171.9
[M+Na-2H]-	316.94214	164.0
[M]+	295.96692	164.0
[M]-	295.96802	164.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.