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

1
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

patents stripe