CID 164187

4-[2-(3-chlorophenyl)ethoxy]-8-fluoroquinoline

Structural Information

Molecular Formula
C17H13ClFNO
SMILES
C1=CC(=CC(=C1)Cl)CCOC2=C3C=CC=C(C3=NC=C2)F
InChI
InChI=1S/C17H13ClFNO/c18-13-4-1-3-12(11-13)8-10-21-16-7-9-20-17-14(16)5-2-6-15(17)19/h1-7,9,11H,8,10H2
InChIKey
VAVNDCIYQVUFLO-UHFFFAOYSA-N
Compound name
4-[2-(3-chlorophenyl)ethoxy]-8-fluoroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 166.0
[M+Na]+ 324.05618 176.3
[M-H]- 300.05968 170.8
[M+NH4]+ 319.10078 181.7
[M+K]+ 340.03012 169.1
[M+H-H2O]+ 284.06422 156.6
[M+HCOO]- 346.06516 182.2
[M+CH3COO]- 360.08081 177.7
[M+Na-2H]- 322.04163 172.2
[M]+ 301.06641 169.0
[M]- 301.06751 169.0
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