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

3
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

patents stripe