CID 3006834

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

Structural Information

Molecular Formula
C16H21FN2
SMILES
CCCCCC(CN1C=CN=C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C16H21FN2/c1-2-3-4-5-15(12-19-11-10-18-13-19)14-6-8-16(17)9-7-14/h6-11,13,15H,2-5,12H2,1H3
InChIKey
GWPSKCYGZFXWON-UHFFFAOYSA-N
Compound name
1-[2-(4-fluorophenyl)heptyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.16888 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.17616 162.1
[M+Na]+ 283.15810 168.5
[M-H]- 259.16160 164.1
[M+NH4]+ 278.20270 177.8
[M+K]+ 299.13204 164.0
[M+H-H2O]+ 243.16614 152.0
[M+HCOO]- 305.16708 181.9
[M+CH3COO]- 319.18273 197.9
[M+Na-2H]- 281.14355 163.9
[M]+ 260.16833 162.3
[M]- 260.16943 162.3
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.