CID 85656687

2-fluoro-3-methoxy-6-(4-pentylphenyl)pyridine

Structural Information

Molecular Formula
C17H20FNO
SMILES
CCCCCC1=CC=C(C=C1)C2=NC(=C(C=C2)OC)F
InChI
InChI=1S/C17H20FNO/c1-3-4-5-6-13-7-9-14(10-8-13)15-11-12-16(20-2)17(18)19-15/h7-12H,3-6H2,1-2H3
InChIKey
KYCANOFHSYTKMD-UHFFFAOYSA-N
Compound name
2-fluoro-3-methoxy-6-(4-pentylphenyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1529 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.160176 164.0
[M+Na]+ 296.142118 172.2
[M-H]- 272.145624 168.0
[M+NH4]+ 291.186723 179.3
[M+K]+ 312.116058 167.5
[M+H-H2O]+ 256.150160 154.5
[M+HCOO]- 318.151101 185.2
[M+CH3COO]- 332.166751 201.7
[M+Na-2H]- 294.127566 167.7
[M]+ 273.15235142 166.2
[M]- 273.15344858 166.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.