CID 42597290

Chembl472823

Structural Information

Molecular Formula
C18H16ClFN2
SMILES
C1CCC(C1)N2C3=C(C=C(C=C3)Cl)N=C2C4=CC=C(C=C4)F
InChI
InChI=1S/C18H16ClFN2/c19-13-7-10-17-16(11-13)21-18(12-5-8-14(20)9-6-12)22(17)15-3-1-2-4-15/h5-11,15H,1-4H2
InChIKey
BUBCVRGSTWJYKZ-UHFFFAOYSA-N
Compound name
5-chloro-1-cyclopentyl-2-(4-fluorophenyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.0986 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.10588 172.6
[M+Na]+ 337.08782 183.5
[M-H]- 313.09132 179.8
[M+NH4]+ 332.13242 189.9
[M+K]+ 353.06176 175.5
[M+H-H2O]+ 297.09586 162.7
[M+HCOO]- 359.09680 188.4
[M+CH3COO]- 373.11245 184.2
[M+Na-2H]- 335.07327 172.3
[M]+ 314.09805 173.2
[M]- 314.09915 173.2
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.