CID 507358

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

Structural Information

Molecular Formula
C21H16F2N2O
SMILES
COC1=CC=CC2=C1N=C(N2CC3=CC=C(C=C3)F)C4=CC=CC=C4F
InChI
InChI=1S/C21H16F2N2O/c1-26-19-8-4-7-18-20(19)24-21(16-5-2-3-6-17(16)23)25(18)13-14-9-11-15(22)12-10-14/h2-12H,13H2,1H3
InChIKey
QUBIDDVDDMZZRT-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-methoxybenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.12308 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13036 182.2
[M+Na]+ 373.11230 194.0
[M-H]- 349.11580 188.8
[M+NH4]+ 368.15690 195.5
[M+K]+ 389.08624 186.1
[M+H-H2O]+ 333.12034 170.0
[M+HCOO]- 395.12128 202.6
[M+CH3COO]- 409.13693 193.4
[M+Na-2H]- 371.09775 184.7
[M]+ 350.12253 184.2
[M]- 350.12363 184.2
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.