CID 3006836

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

Structural Information

Molecular Formula
C18H25FN2
SMILES
CCCCCCCC(CN1C=CN=C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C18H25FN2/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
TVTWANFDBZFIFU-UHFFFAOYSA-N
Compound name
1-[2-(4-fluorophenyl)nonyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.20016 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.20744 171.3
[M+Na]+ 311.18938 176.7
[M-H]- 287.19288 172.9
[M+NH4]+ 306.23398 185.7
[M+K]+ 327.16332 171.7
[M+H-H2O]+ 271.19742 160.7
[M+HCOO]- 333.19836 190.3
[M+CH3COO]- 347.21401 203.9
[M+Na-2H]- 309.17483 172.0
[M]+ 288.19961 172.2
[M]- 288.20071 172.2
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.