CID 278825

2-(2-chlorophenyl)-5,6-dimethyl-1h-benzimidazole

Structural Information

Molecular Formula
C15H13ClN2
SMILES
CC1=CC2=C(C=C1C)N=C(N2)C3=CC=CC=C3Cl
InChI
InChI=1S/C15H13ClN2/c1-9-7-13-14(8-10(9)2)18-15(17-13)11-5-3-4-6-12(11)16/h3-8H,1-2H3,(H,17,18)
InChIKey
OIBAGMVKMXOVKD-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-5,6-dimethyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

256.07672 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08400 157.0
[M+Na]+ 279.06594 169.7
[M-H]- 255.06944 161.6
[M+NH4]+ 274.11054 175.0
[M+K]+ 295.03988 161.8
[M+H-H2O]+ 239.07398 149.5
[M+HCOO]- 301.07492 174.1
[M+CH3COO]- 315.09057 170.0
[M+Na-2H]- 277.05139 161.7
[M]+ 256.07617 160.2
[M]- 256.07727 160.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.