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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05818 162.0
[M+Na]+ 309.04012 173.5
[M-H]- 285.04362 166.6
[M+NH4]+ 304.08472 178.2
[M+K]+ 325.01406 166.8
[M+H-H2O]+ 269.04816 154.2
[M+HCOO]- 331.04910 178.8
[M+CH3COO]- 345.06475 174.3
[M+Na-2H]- 307.02557 166.5
[M]+ 286.05035 166.3
[M]- 286.05145 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.