CID 3006867

Chembl3304817

Structural Information

Molecular Formula
C18H14Cl4N2O
SMILES
C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)COC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H14Cl4N2O/c19-13-1-3-15(16(21)7-13)12(9-24-6-5-23-11-24)10-25-18-4-2-14(20)8-17(18)22/h1-8,11-12H,9-10H2
InChIKey
HFPZVROVIKJAPZ-UHFFFAOYSA-N
Compound name
1-[3-(2,4-dichlorophenoxy)-2-(2,4-dichlorophenyl)propyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

413.98602 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.99330 189.7
[M+Na]+ 436.97524 199.0
[M-H]- 412.97874 192.7
[M+NH4]+ 432.01984 200.2
[M+K]+ 452.94918 191.4
[M+H-H2O]+ 396.98328 180.4
[M+HCOO]- 458.98422 189.9
[M+CH3COO]- 472.99987 197.6
[M+Na-2H]- 434.96069 187.2
[M]+ 413.98547 194.1
[M]- 413.98657 194.1
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

No patent data available for this compound.