CID 3006860

1-[2-(2,6-dichlorophenyl)heptyl]imidazole

Structural Information

Molecular Formula
C16H20Cl2N2
SMILES
CCCCCC(CN1C=CN=C1)C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C16H20Cl2N2/c1-2-3-4-6-13(11-20-10-9-19-12-20)16-14(17)7-5-8-15(16)18/h5,7-10,12-13H,2-4,6,11H2,1H3
InChIKey
GYXPGRSIOCVVHT-UHFFFAOYSA-N
Compound name
1-[2-(2,6-dichlorophenyl)heptyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.10034 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.10762 172.4
[M+Na]+ 333.08956 180.7
[M-H]- 309.09306 175.0
[M+NH4]+ 328.13416 187.6
[M+K]+ 349.06350 173.5
[M+H-H2O]+ 293.09760 163.9
[M+HCOO]- 355.09854 183.2
[M+CH3COO]- 369.11419 204.3
[M+Na-2H]- 331.07501 172.6
[M]+ 310.09979 177.0
[M]- 310.10089 177.0
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

No patent data available for this compound.