CID 507379

2-(2-fluorophenyl)-4-methoxy-1-[(2,3,6-trifluorophenyl)methyl]benzimidazole

Structural Information

Molecular Formula
C21H14F4N2O
SMILES
COC1=CC=CC2=C1N=C(N2CC3=C(C=CC(=C3F)F)F)C4=CC=CC=C4F
InChI
InChI=1S/C21H14F4N2O/c1-28-18-8-4-7-17-20(18)26-21(12-5-2-3-6-14(12)22)27(17)11-13-15(23)9-10-16(24)19(13)25/h2-10H,11H2,1H3
InChIKey
BGOOXWHKFLYAJJ-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-4-methoxy-1-[(2,3,6-trifluorophenyl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.10422 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.11150 189.5
[M+Na]+ 409.09344 203.1
[M-H]- 385.09694 194.1
[M+NH4]+ 404.13804 201.7
[M+K]+ 425.06738 194.3
[M+H-H2O]+ 369.10148 175.7
[M+HCOO]- 431.10242 207.5
[M+CH3COO]- 445.11807 200.0
[M+Na-2H]- 407.07889 189.2
[M]+ 386.10367 190.3
[M]- 386.10477 190.3
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.