CID 3006852

1h-imidazole, 1-[2-(2,4-dichlorophenyl)hexyl]-

Structural Information

Molecular Formula
C15H18Cl2N2
SMILES
CCCCC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H18Cl2N2/c1-2-3-4-12(10-19-8-7-18-11-19)14-6-5-13(16)9-15(14)17/h5-9,11-12H,2-4,10H2,1H3
InChIKey
MBKUAJCHRLZANP-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)hexyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

296.08472 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09200 167.9
[M+Na]+ 319.07394 176.5
[M-H]- 295.07744 170.6
[M+NH4]+ 314.11854 183.6
[M+K]+ 335.04788 169.6
[M+H-H2O]+ 279.08198 159.5
[M+HCOO]- 341.08292 178.9
[M+CH3COO]- 355.09857 201.4
[M+Na-2H]- 317.05939 168.6
[M]+ 296.08417 172.0
[M]- 296.08527 172.0
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

patents stripe