CID 492669

Chembl243936

Structural Information

Molecular Formula
C20H11ClF4N2
SMILES
C1=CC(=C(C(=C1)F)CN2C3=C(C=CC(=C3)Cl)N=C2C4=C(C=CC=C4F)F)F
InChI
InChI=1S/C20H11ClF4N2/c21-11-7-8-17-18(9-11)27(10-12-13(22)3-1-4-14(12)23)20(26-17)19-15(24)5-2-6-16(19)25/h1-9H,10H2
InChIKey
ASFNQLJKYBRDQY-UHFFFAOYSA-N
Compound name
6-chloro-2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

390.0547 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.06198 187.0
[M+Na]+ 413.04392 202.1
[M-H]- 389.04742 191.3
[M+NH4]+ 408.08852 200.1
[M+K]+ 429.01786 191.4
[M+H-H2O]+ 373.05196 173.7
[M+HCOO]- 435.05290 200.7
[M+CH3COO]- 449.06855 197.8
[M+Na-2H]- 411.02937 186.8
[M]+ 390.05415 188.6
[M]- 390.05525 188.6
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