CID 164188

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

Structural Information

Molecular Formula
C18H16FNO
SMILES
CC1=CC=C(C=C1)CCOC2=C3C=CC=C(C3=NC=C2)F
InChI
InChI=1S/C18H16FNO/c1-13-5-7-14(8-6-13)10-12-21-17-9-11-20-18-15(17)3-2-4-16(18)19/h2-9,11H,10,12H2,1H3
InChIKey
LHFMQFMBVAJWLE-UHFFFAOYSA-N
Compound name
8-fluoro-4-[2-(4-methylphenyl)ethoxy]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

281.12158 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12886 164.8
[M+Na]+ 304.11080 173.9
[M-H]- 280.11430 169.8
[M+NH4]+ 299.15540 180.5
[M+K]+ 320.08474 168.1
[M+H-H2O]+ 264.11884 154.8
[M+HCOO]- 326.11978 185.3
[M+CH3COO]- 340.13543 176.5
[M+Na-2H]- 302.09625 171.0
[M]+ 281.12103 165.9
[M]- 281.12213 165.9
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