CID 800028

2-(4-fluorophenyl)-4,5-diphenyl-1h-imidazole

Structural Information

Molecular Formula
C21H15FN2
SMILES
C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C21H15FN2/c22-18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)20(24-21)16-9-5-2-6-10-16/h1-14H,(H,23,24)
InChIKey
NSXOBUOVKKFIHN-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-4,5-diphenyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

40
Patents

314.12192 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12920 173.1
[M+Na]+ 337.11114 181.7
[M-H]- 313.11464 180.9
[M+NH4]+ 332.15574 185.3
[M+K]+ 353.08508 173.0
[M+H-H2O]+ 297.11918 161.6
[M+HCOO]- 359.12012 193.1
[M+CH3COO]- 373.13577 183.6
[M+Na-2H]- 335.09659 176.0
[M]+ 314.12137 169.4
[M]- 314.12247 169.4
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