CID 608319

5,6-dichloro-2-methylbenzimidazole

Structural Information

Molecular Formula
C8H6Cl2N2
SMILES
CC1=NC2=CC(=C(C=C2N1)Cl)Cl
InChI
InChI=1S/C8H6Cl2N2/c1-4-11-7-2-5(9)6(10)3-8(7)12-4/h2-3H,1H3,(H,11,12)
InChIKey
WMOBNOCVMZFPEN-UHFFFAOYSA-N
Compound name
5,6-dichloro-2-methyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

165
Patents

199.9908 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.99808 136.5
[M+Na]+ 222.98002 150.2
[M-H]- 198.98352 137.3
[M+NH4]+ 218.02462 157.2
[M+K]+ 238.95396 143.5
[M+H-H2O]+ 182.98806 131.3
[M+HCOO]- 244.98900 149.3
[M+CH3COO]- 259.00465 150.3
[M+Na-2H]- 220.96547 142.7
[M]+ 199.99025 140.0
[M]- 199.99135 140.0
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