CID 177843273

Dtxsid401369885

Structural Information

Molecular Formula
C42H20Cl6F4N4
SMILES
C1=CC(=CC=C1C2=C(N(C(=N2)C3=C(C(=CC(=C3)Cl)Cl)Cl)C4(N=C(C(=N4)C5=CC=C(C=C5)F)C6=CC=C(C=C6)F)C7=C(C(=CC(=C7)Cl)Cl)Cl)C8=CC=C(C=C8)F)F
InChI
InChI=1S/C42H20Cl6F4N4/c43-25-17-31(35(47)33(45)19-25)41-53-39(23-5-13-29(51)14-6-23)40(24-7-15-30(52)16-8-24)56(41)42(32-18-26(44)20-34(46)36(32)48)54-37(21-1-9-27(49)10-2-21)38(55-42)22-3-11-28(50)12-4-22/h1-20H
InChIKey
WYYZWPDJXOEIFW-UHFFFAOYSA-N
Compound name
1-[4,5-bis(4-fluorophenyl)-2-(2,3,5-trichlorophenyl)imidazol-2-yl]-4,5-bis(4-fluorophenyl)-2-(2,3,5-trichlorophenyl)imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

865.9755 Da
Monoisotopic Mass

13.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 866.98278 269.7
[M+Na]+ 888.96472 280.4
[M-H]- 864.96822 274.3
[M+NH4]+ 884.00932 264.3
[M+K]+ 904.93866 272.5
[M+H-H2O]+ 848.97276 247.7
[M+HCOO]- 910.97370 253.8
[M+CH3COO]- 924.98935 268.6
[M+Na-2H]- 886.95017 253.7
[M]+ 865.97495 272.0
[M]- 865.97605 272.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.