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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.