CID 3006835

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

Structural Information

Molecular Formula
C17H23FN2
SMILES
CCCCCCC(CN1C=CN=C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C17H23FN2/c1-2-3-4-5-6-16(13-20-12-11-19-14-20)15-7-9-17(18)10-8-15/h7-12,14,16H,2-6,13H2,1H3
InChIKey
SRQAYAPPDWJZKQ-UHFFFAOYSA-N
Compound name
1-[2-(4-fluorophenyl)octyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.18454 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.19182 166.7
[M+Na]+ 297.17376 172.6
[M-H]- 273.17726 168.5
[M+NH4]+ 292.21836 181.8
[M+K]+ 313.14770 167.9
[M+H-H2O]+ 257.18180 156.4
[M+HCOO]- 319.18274 186.1
[M+CH3COO]- 333.19839 200.9
[M+Na-2H]- 295.15921 167.9
[M]+ 274.18399 167.3
[M]- 274.18509 167.3
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.