CID 331775

5,6-dichloro-1h-benzimidazole

Structural Information

Molecular Formula
C7H4Cl2N2
SMILES
C1=C2C(=CC(=C1Cl)Cl)N=CN2
InChI
InChI=1S/C7H4Cl2N2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H,(H,10,11)
InChIKey
IPRDZAMUYMOJTA-UHFFFAOYSA-N
Compound name
5,6-dichloro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

1152
Patents

185.97516 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98244 131.7
[M+Na]+ 208.96438 144.9
[M-H]- 184.96788 132.3
[M+NH4]+ 204.00898 152.7
[M+K]+ 224.93832 138.4
[M+H-H2O]+ 168.97242 126.3
[M+HCOO]- 230.97336 144.9
[M+CH3COO]- 244.98901 145.6
[M+Na-2H]- 206.94983 139.1
[M]+ 185.97461 134.5
[M]- 185.97571 134.5
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