CID 164171

7-chloro-4-(4-fluorophenoxy)quinoline

Structural Information

Molecular Formula
C15H9ClFNO
SMILES
C1=CC(=CC=C1OC2=C3C=CC(=CC3=NC=C2)Cl)F
InChI
InChI=1S/C15H9ClFNO/c16-10-1-6-13-14(9-10)18-8-7-15(13)19-12-4-2-11(17)3-5-12/h1-9H
InChIKey
RRNMVVBDVXFTPY-UHFFFAOYSA-N
Compound name
7-chloro-4-(4-fluorophenoxy)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

273.03568 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.04296 156.5
[M+Na]+ 296.02490 167.8
[M-H]- 272.02840 161.7
[M+NH4]+ 291.06950 173.4
[M+K]+ 311.99884 161.1
[M+H-H2O]+ 256.03294 147.7
[M+HCOO]- 318.03388 173.5
[M+CH3COO]- 332.04953 169.1
[M+Na-2H]- 294.01035 163.9
[M]+ 273.03513 158.9
[M]- 273.03623 158.9
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