CID 3006837

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

Structural Information

Molecular Formula
C19H27FN2
SMILES
CCCCCCCCC(CN1C=CN=C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C19H27FN2/c1-2-3-4-5-6-7-8-18(15-22-14-13-21-16-22)17-9-11-19(20)12-10-17/h9-14,16,18H,2-8,15H2,1H3
InChIKey
VVGRVOOOCJIXIO-UHFFFAOYSA-N
Compound name
1-[2-(4-fluorophenyl)decyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.21582 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.22310 175.8
[M+Na]+ 325.20504 180.8
[M-H]- 301.20854 177.2
[M+NH4]+ 320.24964 189.7
[M+K]+ 341.17898 175.6
[M+H-H2O]+ 285.21308 165.1
[M+HCOO]- 347.21402 194.5
[M+CH3COO]- 361.22967 206.8
[M+Na-2H]- 323.19049 175.9
[M]+ 302.21527 177.1
[M]- 302.21637 177.1
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.