CID 468847

199594-59-7

Structural Information

Molecular Formula
C20H12F4N2
SMILES
C1=CC=C2C(=C1)N=C(N2CC3=C(C=CC=C3F)F)C4=C(C=CC=C4F)F
InChI
InChI=1S/C20H12F4N2/c21-13-5-3-6-14(22)12(13)11-26-18-10-2-1-9-17(18)25-20(26)19-15(23)7-4-8-16(19)24/h1-10H,11H2
InChIKey
MDIRLWZOKMHIJZ-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

13
Patents

356.09366 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.10094 180.8
[M+Na]+ 379.08288 194.3
[M-H]- 355.08638 185.2
[M+NH4]+ 374.12748 194.1
[M+K]+ 395.05682 184.9
[M+H-H2O]+ 339.09092 167.3
[M+HCOO]- 401.09186 199.2
[M+CH3COO]- 415.10751 191.7
[M+Na-2H]- 377.06833 181.8
[M]+ 356.09311 179.6
[M]- 356.09421 179.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe