CID 9864701

Chembl388694

Structural Information

Molecular Formula
C21H11F4N3
SMILES
C1=CC(=C2C(=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4F)F)C#N
InChI
InChI=1S/C21H11F4N3/c22-14-5-2-6-15(23)13(14)11-28-18-9-1-4-12(10-26)20(18)27-21(28)19-16(24)7-3-8-17(19)25/h1-9H,11H2
InChIKey
SAIBQXSSSPUXRN-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

381.0889 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.09618 185.4
[M+Na]+ 404.07812 200.4
[M-H]- 380.08162 186.9
[M+NH4]+ 399.12272 195.7
[M+K]+ 420.05206 188.5
[M+H-H2O]+ 364.08616 165.5
[M+HCOO]- 426.08710 199.7
[M+CH3COO]- 440.10275 193.8
[M+Na-2H]- 402.06357 184.6
[M]+ 381.08835 179.0
[M]- 381.08945 179.0
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