CID 4915231

5,6-dichloro-2-(4-fluorophenyl)-1h-benzimidazole

Structural Information

Molecular Formula
C13H7Cl2FN2
SMILES
C1=CC(=CC=C1C2=NC3=CC(=C(C=C3N2)Cl)Cl)F
InChI
InChI=1S/C13H7Cl2FN2/c14-9-5-11-12(6-10(9)15)18-13(17-11)7-1-3-8(16)4-2-7/h1-6H,(H,17,18)
InChIKey
LJXKYBGNNSEFSZ-UHFFFAOYSA-N
Compound name
5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.99704 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.00432 155.8
[M+Na]+ 302.98626 169.6
[M-H]- 278.98976 158.4
[M+NH4]+ 298.03086 173.1
[M+K]+ 318.96020 160.7
[M+H-H2O]+ 262.99430 147.9
[M+HCOO]- 324.99524 167.3
[M+CH3COO]- 339.01089 168.2
[M+Na-2H]- 300.97171 160.2
[M]+ 279.99649 158.5
[M]- 279.99759 158.5
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

No patent data available for this compound.