CID 507372

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

Structural Information

Molecular Formula
C22H16F4N2O
SMILES
COC1=CC=CC2=C1N=C(N2CC3=CC(=CC=C3)C(F)(F)F)C4=CC=CC=C4F
InChI
InChI=1S/C22H16F4N2O/c1-29-19-11-5-10-18-20(19)27-21(16-8-2-3-9-17(16)23)28(18)13-14-6-4-7-15(12-14)22(24,25)26/h2-12H,13H2,1H3
InChIKey
YZODUABRIKEOBZ-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-4-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.11987 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.12715 194.7
[M+Na]+ 423.10909 206.5
[M-H]- 399.11259 198.8
[M+NH4]+ 418.15369 205.9
[M+K]+ 439.08303 198.0
[M+H-H2O]+ 383.11713 180.9
[M+HCOO]- 445.11807 210.8
[M+CH3COO]- 459.13372 204.3
[M+Na-2H]- 421.09454 196.2
[M]+ 400.11932 194.3
[M]- 400.12042 194.3
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.