CID 3006832

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

Structural Information

Molecular Formula
C14H17FN2
SMILES
CCCC(CN1C=CN=C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H17FN2/c1-2-3-13(10-17-9-8-16-11-17)12-4-6-14(15)7-5-12/h4-9,11,13H,2-3,10H2,1H3
InChIKey
LGYFYYMGJYLYBS-UHFFFAOYSA-N
Compound name
1-[2-(4-fluorophenyl)pentyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

232.13757 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.14485 152.8
[M+Na]+ 255.12679 160.1
[M-H]- 231.13029 155.2
[M+NH4]+ 250.17139 169.7
[M+K]+ 271.10073 156.1
[M+H-H2O]+ 215.13483 143.2
[M+HCOO]- 277.13577 173.3
[M+CH3COO]- 291.15142 192.0
[M+Na-2H]- 253.11224 155.8
[M]+ 232.13702 152.4
[M]- 232.13812 152.4
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.