CID 56841622

108004-27-9

Structural Information

Molecular Formula
C20H16Cl4N2O
SMILES
C1[C@H]([C@@H]1[C@](CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C20H16Cl4N2O/c21-12-1-3-14(18(23)7-12)15-9-17(15)20(27,10-26-6-5-25-11-26)16-4-2-13(22)8-19(16)24/h1-8,11,15,17,27H,9-10H2/t15-,17+,20-/m0/s1
InChIKey
SDZFQJRPYNDLGJ-VPWXQRGCSA-N
Compound name
(1R)-1-(2,4-dichlorophenyl)-1-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]-2-imidazol-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.00168 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.00896 199.7
[M+Na]+ 462.99090 217.0
[M+NH4]+ 458.03550 207.8
[M+K]+ 478.96484 209.6
[M-H]- 438.99440 209.8
[M+Na-2H]- 460.97635 209.7
[M]+ 440.00113 207.2
[M]- 440.00223 207.2
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.