CID 3006862

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

Structural Information

Molecular Formula
C18H24Cl2N2
SMILES
CCCCCCCC(CN1C=CN=C1)C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C18H24Cl2N2/c1-2-3-4-5-6-8-15(13-22-12-11-21-14-22)18-16(19)9-7-10-17(18)20/h7,9-12,14-15H,2-6,8,13H2,1H3
InChIKey
JCRJOIXUBFIMEH-UHFFFAOYSA-N
Compound name
1-[2-(2,6-dichlorophenyl)nonyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.13165 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.13893 181.5
[M+Na]+ 361.12087 188.9
[M-H]- 337.12437 183.7
[M+NH4]+ 356.16547 195.5
[M+K]+ 377.09481 181.2
[M+H-H2O]+ 321.12891 172.5
[M+HCOO]- 383.12985 191.6
[M+CH3COO]- 397.14550 210.1
[M+Na-2H]- 359.10632 180.6
[M]+ 338.13110 186.7
[M]- 338.13220 186.7
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.