CID 164185

8-fluoro-4-[2-(4-methoxyphenyl)ethoxy]quinoline

Structural Information

Molecular Formula
C18H16FNO2
SMILES
COC1=CC=C(C=C1)CCOC2=C3C=CC=C(C3=NC=C2)F
InChI
InChI=1S/C18H16FNO2/c1-21-14-7-5-13(6-8-14)10-12-22-17-9-11-20-18-15(17)3-2-4-16(18)19/h2-9,11H,10,12H2,1H3
InChIKey
XSZVOLPDKJJBOM-UHFFFAOYSA-N
Compound name
8-fluoro-4-[2-(4-methoxyphenyl)ethoxy]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

297.11652 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.123796 168.2
[M+Na]+ 320.105738 177.1
[M-H]- 296.109244 173.2
[M+NH4]+ 315.150343 183.1
[M+K]+ 336.079678 172.0
[M+H-H2O]+ 280.113780 157.9
[M+HCOO]- 342.114721 188.9
[M+CH3COO]- 356.130371 179.7
[M+Na-2H]- 318.091186 174.3
[M]+ 297.11597142 170.6
[M]- 297.11706858 170.6
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

patents stripe