CID 840715

5,6-dichloro-1,2-dimethylbenzimidazole

Structural Information

Molecular Formula
C9H8Cl2N2
SMILES
CC1=NC2=CC(=C(C=C2N1C)Cl)Cl
InChI
InChI=1S/C9H8Cl2N2/c1-5-12-8-3-6(10)7(11)4-9(8)13(5)2/h3-4H,1-2H3
InChIKey
ZLJHHGSEAITOGJ-UHFFFAOYSA-N
Compound name
5,6-dichloro-1,2-dimethylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

27
Patents

214.00645 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01373 139.8
[M+Na]+ 236.99567 156.9
[M+NH4]+ 232.04027 149.6
[M+K]+ 252.96961 150.0
[M-H]- 212.99917 142.0
[M+Na-2H]- 234.98112 147.2
[M]+ 214.00590 143.6
[M]- 214.00700 143.6
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