CID 24859

5,6-dichloro-2-nitrobenzimidazole

Structural Information

Molecular Formula
C7H3Cl2N3O2
SMILES
C1=C2C(=CC(=C1Cl)Cl)N=C(N2)[N+](=O)[O-]
InChI
InChI=1S/C7H3Cl2N3O2/c8-3-1-5-6(2-4(3)9)11-7(10-5)12(13)14/h1-2H,(H,10,11)
InChIKey
YUNUEJLTPTYGJC-UHFFFAOYSA-N
Compound name
5,6-dichloro-2-nitro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.96024 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.96752 142.0
[M+Na]+ 253.94946 153.5
[M-H]- 229.95296 142.6
[M+NH4]+ 248.99406 160.0
[M+K]+ 269.92340 144.0
[M+H-H2O]+ 213.95750 141.3
[M+HCOO]- 275.95844 156.1
[M+CH3COO]- 289.97409 178.5
[M+Na-2H]- 251.93491 149.9
[M]+ 230.95969 143.8
[M]- 230.96079 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.