CID 164193

7-chloro-4-[1-(2-fluorophenyl)ethoxy]quinoline

Structural Information

Molecular Formula
C17H13ClFNO
SMILES
CC(C1=CC=CC=C1F)OC2=C3C=CC(=CC3=NC=C2)Cl
InChI
InChI=1S/C17H13ClFNO/c1-11(13-4-2-3-5-15(13)19)21-17-8-9-20-16-10-12(18)6-7-14(16)17/h2-11H,1H3
InChIKey
OGRSLVAVXHQOCL-UHFFFAOYSA-N
Compound name
7-chloro-4-[1-(2-fluorophenyl)ethoxy]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

301.06696 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.07424 165.7
[M+Na]+ 324.05618 175.6
[M-H]- 300.05968 170.6
[M+NH4]+ 319.10078 181.3
[M+K]+ 340.03012 169.0
[M+H-H2O]+ 284.06422 156.5
[M+HCOO]- 346.06516 180.9
[M+CH3COO]- 360.08081 177.3
[M+Na-2H]- 322.04163 170.8
[M]+ 301.06641 168.2
[M]- 301.06751 168.2
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