CID 164189

8-fluoro-4-(2-phenylethoxy)quinoline

Structural Information

Molecular Formula
C17H14FNO
SMILES
C1=CC=C(C=C1)CCOC2=C3C=CC=C(C3=NC=C2)F
InChI
InChI=1S/C17H14FNO/c18-15-8-4-7-14-16(9-11-19-17(14)15)20-12-10-13-5-2-1-3-6-13/h1-9,11H,10,12H2
InChIKey
LSFOXCHGNMRDKE-UHFFFAOYSA-N
Compound name
8-fluoro-4-(2-phenylethoxy)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

267.10596 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11324 159.9
[M+Na]+ 290.09518 168.5
[M-H]- 266.09868 164.6
[M+NH4]+ 285.13978 175.8
[M+K]+ 306.06912 162.9
[M+H-H2O]+ 250.10322 149.9
[M+HCOO]- 312.10416 180.7
[M+CH3COO]- 326.11981 171.6
[M+Na-2H]- 288.08063 167.3
[M]+ 267.10541 160.2
[M]- 267.10651 160.2
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

patents stripe