CID 3008655

Oprea1_844187

Structural Information

Molecular Formula

C₁₅H₁₁ClN₂O₂

SMILES

COC(=O)C1=CC2=C(C=C1)N=C(N2)C3=CC=CC=C3Cl

InChI

InChI=1S/C15H11ClN2O2/c1-20-15(19)9-6-7-12-13(8-9)18-14(17-12)10-4-2-3-5-11(10)16/h2-8H,1H3,(H,17,18)

InChIKey

GOHXNSLMAJYZIA-UHFFFAOYSA-N

Compound name

methyl 2-(2-chlorophenyl)-3H-benzimidazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 286.0509 Da
Monoisotopic Mass: 3.6
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]+	287.058176	162.0
[M+Na]+	309.040118	173.5
[M-H]-	285.043624	166.6
[M+NH4]+	304.084723	178.2
[M+K]+	325.014058	166.8
[M+H-H2O]+	269.048160	154.2
[M+HCOO]-	331.049101	178.8
[M+CH3COO]-	345.064751	174.3
[M+Na-2H]-	307.025566	166.5
[M]+	286.05035142	166.3
[M]-	286.05144858	166.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.