CID 507366

1-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-4-methoxy-benzimidazole

Structural Information

Molecular Formula
C21H16ClFN2O
SMILES
COC1=CC=CC2=C1N=C(N2CC3=CC(=CC=C3)Cl)C4=CC=CC=C4F
InChI
InChI=1S/C21H16ClFN2O/c1-26-19-11-5-10-18-20(19)24-21(16-8-2-3-9-17(16)23)25(18)13-14-6-4-7-15(22)12-14/h2-12H,13H2,1H3
InChIKey
CVQKLZUOBUXDAL-UHFFFAOYSA-N
Compound name
1-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.0935 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.10078 186.0
[M+Na]+ 389.08272 198.4
[M-H]- 365.08622 193.5
[M+NH4]+ 384.12732 199.5
[M+K]+ 405.05666 189.6
[M+H-H2O]+ 349.09076 174.8
[M+HCOO]- 411.09170 202.7
[M+CH3COO]- 425.10735 197.2
[M+Na-2H]- 387.06817 188.5
[M]+ 366.09295 191.3
[M]- 366.09405 191.3
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.