CID 492666

Chembl427868

Structural Information

Molecular Formula
C20H11BrF4N2
SMILES
C1=CC(=C(C(=C1)F)CN2C3=C(C=C(C=C3)Br)N=C2C4=C(C=CC=C4F)F)F
InChI
InChI=1S/C20H11BrF4N2/c21-11-7-8-18-17(9-11)26-20(19-15(24)5-2-6-16(19)25)27(18)10-12-13(22)3-1-4-14(12)23/h1-9H,10H2
InChIKey
VHEOMPWIDFMXKI-UHFFFAOYSA-N
Compound name
5-bromo-2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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