CID 11357325

Chembl397788

Structural Information

Molecular Formula
C15H13ClN2
SMILES
C1=CC=C(C=C1)CCC2=NC3=C(N2)C=C(C=C3)Cl
InChI
InChI=1S/C15H13ClN2/c16-12-7-8-13-14(10-12)18-15(17-13)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,17,18)
InChIKey
DACXPGIOUDVPMW-UHFFFAOYSA-N
Compound name
6-chloro-2-(2-phenylethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

256.07672 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08400 156.4
[M+Na]+ 279.06594 167.2
[M-H]- 255.06944 160.2
[M+NH4]+ 274.11054 173.7
[M+K]+ 295.03988 159.3
[M+H-H2O]+ 239.07398 148.3
[M+HCOO]- 301.07492 173.5
[M+CH3COO]- 315.09057 168.7
[M+Na-2H]- 277.05139 162.6
[M]+ 256.07617 158.8
[M]- 256.07727 158.8
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.