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

29
Patents

214.00645 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.013726 140.9
[M+Na]+ 236.995668 155.4
[M-H]- 212.999174 143.1
[M+NH4]+ 232.040273 162.0
[M+K]+ 252.969608 149.3
[M+H-H2O]+ 197.003710 135.3
[M+HCOO]- 259.004651 154.7
[M+CH3COO]- 273.020301 155.2
[M+Na-2H]- 234.981116 146.1
[M]+ 214.00590142 146.8
[M]- 214.00699858 146.8
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