CID 76063

5-chloro-2-methylbenzimidazole

Structural Information

Molecular Formula
C8H7ClN2
SMILES
CC1=NC2=C(N1)C=C(C=C2)Cl
InChI
InChI=1S/C8H7ClN2/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3,(H,10,11)
InChIKey
NICFDLORAOTXMD-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

361
Patents

166.02977 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03705 130.0
[M+Na]+ 189.01899 142.6
[M-H]- 165.02249 131.4
[M+NH4]+ 184.06359 151.6
[M+K]+ 204.99293 137.2
[M+H-H2O]+ 149.02703 124.3
[M+HCOO]- 211.02797 148.2
[M+CH3COO]- 225.04362 144.5
[M+Na-2H]- 187.00444 137.9
[M]+ 166.02922 132.4
[M]- 166.03032 132.4
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