CID 3006843

1-[2-(4-chlorophenyl)nonyl]imidazole

Structural Information

Molecular Formula
C18H25ClN2
SMILES
CCCCCCCC(CN1C=CN=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H25ClN2/c1-2-3-4-5-6-7-17(14-21-13-12-20-15-21)16-8-10-18(19)11-9-16/h8-13,15,17H,2-7,14H2,1H3
InChIKey
FYMHUVGGHJPZTL-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)nonyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

304.17062 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17790 175.6
[M+Na]+ 327.15984 181.7
[M-H]- 303.16334 178.2
[M+NH4]+ 322.20444 190.3
[M+K]+ 343.13378 175.3
[M+H-H2O]+ 287.16788 166.1
[M+HCOO]- 349.16882 190.9
[M+CH3COO]- 363.18447 204.8
[M+Na-2H]- 325.14529 176.2
[M]+ 304.17007 179.4
[M]- 304.17117 179.4
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