CID 327199

64009-96-7

Structural Information

Molecular Formula
C19H16Cl4N2O
SMILES
C1=CC(=C(C=C1Cl)Cl)C(CCOC2=C(C=C(C=C2)Cl)Cl)CN3C=CN=C3
InChI
InChI=1S/C19H16Cl4N2O/c20-14-1-3-16(17(22)9-14)13(11-25-7-6-24-12-25)5-8-26-19-4-2-15(21)10-18(19)23/h1-4,6-7,9-10,12-13H,5,8,11H2
InChIKey
YLMDZEPSHJDDIY-UHFFFAOYSA-N
Compound name
1-[4-(2,4-dichlorophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

428.00168 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.00896 193.9
[M+Na]+ 450.99090 202.9
[M-H]- 426.99440 196.8
[M+NH4]+ 446.03550 203.9
[M+K]+ 466.96484 195.1
[M+H-H2O]+ 410.99894 184.4
[M+HCOO]- 472.99988 193.8
[M+CH3COO]- 487.01553 201.4
[M+Na-2H]- 448.97635 190.9
[M]+ 428.00113 198.6
[M]- 428.00223 198.6
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.