CID 49777712

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

Structural Information

Molecular Formula
C14H9Cl2N3O3
SMILES
COC1=CC(=C(C=C1)C2=NC3=C(N2)C=CC(=C3Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H9Cl2N3O3/c1-22-7-2-3-8(11(6-7)19(20)21)14-17-10-5-4-9(15)12(16)13(10)18-14/h2-6H,1H3,(H,17,18)
InChIKey
CTPFHVCKYPSEOJ-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-(4-methoxy-2-nitrophenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.0021 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.00938 172.2
[M+Na]+ 359.99132 183.1
[M-H]- 335.99482 176.1
[M+NH4]+ 355.03592 185.9
[M+K]+ 375.96526 172.4
[M+H-H2O]+ 319.99936 169.5
[M+HCOO]- 382.00030 185.3
[M+CH3COO]- 396.01595 199.5
[M+Na-2H]- 357.97677 177.6
[M]+ 337.00155 176.6
[M]- 337.00265 176.6
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.