CID 3068290

83337-96-6

Structural Information

Molecular Formula
C18H15Cl3N2O2
SMILES
C1=CC=C(C(=C1)OCC(CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O)Cl
InChI
InChI=1S/C18H15Cl3N2O2/c19-13-5-6-14(16(21)9-13)18(24,10-23-8-7-22-12-23)11-25-17-4-2-1-3-15(17)20/h1-9,12,24H,10-11H2
InChIKey
WEZGJKXRNRGPRU-UHFFFAOYSA-N
Compound name
1-(2-chlorophenoxy)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

396.0199 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.027176 188.1
[M+Na]+ 419.009118 197.3
[M-H]- 395.012624 192.1
[M+NH4]+ 414.053723 198.9
[M+K]+ 434.983058 189.5
[M+H-H2O]+ 379.017160 179.1
[M+HCOO]- 441.018101 192.2
[M+CH3COO]- 455.033751 196.8
[M+Na-2H]- 416.994566 189.3
[M]+ 396.01935142 192.7
[M]- 396.02044858 192.7
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.