CID 68917

Fenflumizole

Structural Information

Molecular Formula
C23H18F2N2O2
SMILES
COC1=CC=C(C=C1)C2=C(N=C(N2)C3=C(C=C(C=C3)F)F)C4=CC=C(C=C4)OC
InChI
InChI=1S/C23H18F2N2O2/c1-28-17-8-3-14(4-9-17)21-22(15-5-10-18(29-2)11-6-15)27-23(26-21)19-12-7-16(24)13-20(19)25/h3-13H,1-2H3,(H,26,27)
InChIKey
ITFWPRPSIAYKMV-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

24
References

915
Patents

392.13364 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.140916 193.2
[M+Na]+ 415.122858 203.1
[M-H]- 391.126364 200.6
[M+NH4]+ 410.167463 202.7
[M+K]+ 431.096798 195.1
[M+H-H2O]+ 375.130900 180.4
[M+HCOO]- 437.131841 211.6
[M+CH3COO]- 451.147491 202.8
[M+Na-2H]- 413.108306 192.1
[M]+ 392.13309142 193.1
[M]- 392.13418858 193.1
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