CID 3006833

1h-imidazole, 1-[2-(4-fluorophenyl)hexyl]-

Structural Information

Molecular Formula
C15H19FN2
SMILES
CCCCC(CN1C=CN=C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C15H19FN2/c1-2-3-4-14(11-18-10-9-17-12-18)13-5-7-15(16)8-6-13/h5-10,12,14H,2-4,11H2,1H3
InChIKey
AVFKBOOCYNLLST-UHFFFAOYSA-N
Compound name
1-[2-(4-fluorophenyl)hexyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.15323 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.16051 157.5
[M+Na]+ 269.14245 164.3
[M-H]- 245.14595 159.7
[M+NH4]+ 264.18705 173.7
[M+K]+ 285.11639 160.1
[M+H-H2O]+ 229.15049 147.6
[M+HCOO]- 291.15143 177.6
[M+CH3COO]- 305.16708 195.0
[M+Na-2H]- 267.12790 159.8
[M]+ 246.15268 157.4
[M]- 246.15378 157.4
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

No patent data available for this compound.