CID 42597288

Chembl474642

Structural Information

Molecular Formula
C18H15Cl2FN2
SMILES
C1CCC(C1)N2C3=CC(=C(C=C3N=C2C4=CC=C(C=C4)F)Cl)Cl
InChI
InChI=1S/C18H15Cl2FN2/c19-14-9-16-17(10-15(14)20)23(13-3-1-2-4-13)18(22-16)11-5-7-12(21)8-6-11/h5-10,13H,1-4H2
InChIKey
IKJBPSXJGZPQKF-UHFFFAOYSA-N
Compound name
5,6-dichloro-1-cyclopentyl-2-(4-fluorophenyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.05963 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.06691 180.6
[M+Na]+ 371.04885 192.7
[M-H]- 347.05235 187.2
[M+NH4]+ 366.09345 197.2
[M+K]+ 387.02279 183.7
[M+H-H2O]+ 331.05689 170.9
[M+HCOO]- 393.05783 191.1
[M+CH3COO]- 407.07348 191.6
[M+Na-2H]- 369.03430 178.7
[M]+ 348.05908 182.8
[M]- 348.06018 182.8
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.