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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06328 158.7
[M+Na]+ 293.04522 169.4
[M-H]- 269.04872 162.8
[M+NH4]+ 288.08982 175.3
[M+K]+ 309.01916 162.0
[M+H-H2O]+ 253.05326 150.8
[M+HCOO]- 315.05420 175.3
[M+CH3COO]- 329.06985 170.8
[M+Na-2H]- 291.03067 163.9
[M]+ 270.05545 161.3
[M]- 270.05655 161.3
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.