CID 164174

8-chloro-4-(2-methylphenoxy)quinoline

Structural Information

Molecular Formula
C16H12ClNO
SMILES
CC1=CC=CC=C1OC2=C3C=CC=C(C3=NC=C2)Cl
InChI
InChI=1S/C16H12ClNO/c1-11-5-2-3-8-14(11)19-15-9-10-18-16-12(15)6-4-7-13(16)17/h2-10H,1H3
InChIKey
FQYLEAYGSXHJHB-UHFFFAOYSA-N
Compound name
8-chloro-4-(2-methylphenoxy)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

269.06073 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06801 158.6
[M+Na]+ 292.04995 177.6
[M+NH4]+ 287.09455 169.2
[M+K]+ 308.02389 167.1
[M-H]- 268.05345 164.9
[M+Na-2H]- 290.03540 169.9
[M]+ 269.06018 163.8
[M]- 269.06128 163.8
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