CID 3006857

1-[2-(2,4-dichlorophenyl)nonyl]imidazole

Structural Information

Molecular Formula
C18H24Cl2N2
SMILES
CCCCCCCC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C18H24Cl2N2/c1-2-3-4-5-6-7-15(13-22-11-10-21-14-22)17-9-8-16(19)12-18(17)20/h8-12,14-15H,2-7,13H2,1H3
InChIKey
TWSCPXIPXQUJEO-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)nonyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
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

patents stripe