CID 3006861

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

Structural Information

Molecular Formula
C17H22Cl2N2
SMILES
CCCCCCC(CN1C=CN=C1)C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C17H22Cl2N2/c1-2-3-4-5-7-14(12-21-11-10-20-13-21)17-15(18)8-6-9-16(17)19/h6,8-11,13-14H,2-5,7,12H2,1H3
InChIKey
GVWZTRQBOGWMMQ-UHFFFAOYSA-N
Compound name
1-[2-(2,6-dichlorophenyl)octyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.116 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.12328 177.0
[M+Na]+ 347.10522 184.8
[M-H]- 323.10872 179.4
[M+NH4]+ 342.14982 191.6
[M+K]+ 363.07916 177.4
[M+H-H2O]+ 307.11326 168.2
[M+HCOO]- 369.11420 187.4
[M+CH3COO]- 383.12985 207.2
[M+Na-2H]- 345.09067 176.6
[M]+ 324.11545 181.9
[M]- 324.11655 181.9
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.