CID 507377

1-[(3,5-difluorophenyl)methyl]-2-(2-fluorophenyl)-4-methoxy-benzimidazole

Structural Information

Molecular Formula
C21H15F3N2O
SMILES
COC1=CC=CC2=C1N=C(N2CC3=CC(=CC(=C3)F)F)C4=CC=CC=C4F
InChI
InChI=1S/C21H15F3N2O/c1-27-19-8-4-7-18-20(19)25-21(16-5-2-3-6-17(16)24)26(18)12-13-9-14(22)11-15(23)10-13/h2-11H,12H2,1H3
InChIKey
KUPFFRRYXIJODR-UHFFFAOYSA-N
Compound name
1-[(3,5-difluorophenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.11365 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.12093 185.8
[M+Na]+ 391.10287 198.5
[M-H]- 367.10637 191.4
[M+NH4]+ 386.14747 198.6
[M+K]+ 407.07681 190.2
[M+H-H2O]+ 351.11091 172.8
[M+HCOO]- 413.11185 205.1
[M+CH3COO]- 427.12750 196.7
[M+Na-2H]- 389.08832 186.9
[M]+ 368.11310 187.3
[M]- 368.11420 187.3
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.