CID 3006855

1-[2-(2,4-dichlorophenyl)-3-methyl-hexyl]imidazole

Structural Information

Molecular Formula
C16H20Cl2N2
SMILES
CCCC(C)C(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H20Cl2N2/c1-3-4-12(2)15(10-20-8-7-19-11-20)14-6-5-13(17)9-16(14)18/h5-9,11-12,15H,3-4,10H2,1-2H3
InChIKey
GEOYNKPIUTXJNQ-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-3-methylhexyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.10034 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.10762 171.9
[M+Na]+ 333.08956 179.9
[M-H]- 309.09306 174.7
[M+NH4]+ 328.13416 187.0
[M+K]+ 349.06350 173.2
[M+H-H2O]+ 293.09760 163.6
[M+HCOO]- 355.09854 181.7
[M+CH3COO]- 369.11419 205.2
[M+Na-2H]- 331.07501 171.0
[M]+ 310.09979 175.9
[M]- 310.10089 175.9
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.