CID 49770604

(2,6-dichlorophenyl)-[2-(2-nitrophenyl)benzimidazol-1-yl]methanone

Structural Information

Molecular Formula
C20H11Cl2N3O3
SMILES
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2C(=O)C4=C(C=CC=C4Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C20H11Cl2N3O3/c21-13-7-5-8-14(22)18(13)20(26)24-17-11-4-2-9-15(17)23-19(24)12-6-1-3-10-16(12)25(27)28/h1-11H
InChIKey
CMPMNBRQKCZKEO-UHFFFAOYSA-N
Compound name
(2,6-dichlorophenyl)-[2-(2-nitrophenyl)benzimidazol-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.01776 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.02504 194.6
[M+Na]+ 434.00698 204.0
[M-H]- 410.01048 202.3
[M+NH4]+ 429.05158 205.0
[M+K]+ 449.98092 192.7
[M+H-H2O]+ 394.01502 189.2
[M+HCOO]- 456.01596 207.2
[M+CH3COO]- 470.03161 214.9
[M+Na-2H]- 431.99243 198.1
[M]+ 411.01721 199.0
[M]- 411.01831 199.0
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.