CID 2953616

8-[(4-fluorophenyl)methoxy]quinoline

Structural Information

Molecular Formula
C16H12FNO
SMILES
C1=CC2=C(C(=C1)OCC3=CC=C(C=C3)F)N=CC=C2
InChI
InChI=1S/C16H12FNO/c17-14-8-6-12(7-9-14)11-19-15-5-1-3-13-4-2-10-18-16(13)15/h1-10H,11H2
InChIKey
JAAIESMICFNIBV-UHFFFAOYSA-N
Compound name
8-[(4-fluorophenyl)methoxy]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

14
Patents

253.09029 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09757 155.2
[M+Na]+ 276.07951 164.2
[M-H]- 252.08301 160.1
[M+NH4]+ 271.12411 171.7
[M+K]+ 292.05345 158.9
[M+H-H2O]+ 236.08755 145.4
[M+HCOO]- 298.08849 176.4
[M+CH3COO]- 312.10414 167.4
[M+Na-2H]- 274.06496 163.2
[M]+ 253.08974 155.2
[M]- 253.09084 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe