CID 49777714

4,5-dichloro-2-(4-nitrophenyl)-1h-benzimidazole

Structural Information

Molecular Formula
C13H7Cl2N3O2
SMILES
C1=CC(=CC=C1C2=NC3=C(N2)C=CC(=C3Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C13H7Cl2N3O2/c14-9-5-6-10-12(11(9)15)17-13(16-10)7-1-3-8(4-2-7)18(19)20/h1-6H,(H,16,17)
InChIKey
CWKXPYXCTGNXLQ-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-(4-nitrophenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.99155 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.99883 164.6
[M+Na]+ 329.98077 175.4
[M-H]- 305.98427 168.2
[M+NH4]+ 325.02537 179.3
[M+K]+ 345.95471 164.2
[M+H-H2O]+ 289.98881 162.0
[M+HCOO]- 351.98975 177.9
[M+CH3COO]- 366.00540 193.4
[M+Na-2H]- 327.96622 171.0
[M]+ 306.99100 166.9
[M]- 306.99210 166.9
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.