CID 492665

Chembl61352

Structural Information

Molecular Formula
C20H11BrF4N2
SMILES
C1=CC2=C(C(=C1)Br)N=C(N2CC3=C(C=CC=C3F)F)C4=C(C=CC=C4F)F
InChI
InChI=1S/C20H11BrF4N2/c21-12-4-1-9-17-19(12)26-20(18-15(24)7-3-8-16(18)25)27(17)10-11-13(22)5-2-6-14(11)23/h1-9H,10H2
InChIKey
HHDJQBCGFBYCBT-UHFFFAOYSA-N
Compound name
4-bromo-2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

434.00418 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.01146 197.8
[M+Na]+ 456.99340 214.0
[M-H]- 432.99690 204.9
[M+NH4]+ 452.03800 212.2
[M+K]+ 472.96734 198.3
[M+H-H2O]+ 417.00144 191.9
[M+HCOO]- 479.00238 214.0
[M+CH3COO]- 493.01803 209.7
[M+Na-2H]- 454.97885 198.4
[M]+ 434.00363 215.3
[M]- 434.00473 215.3
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