CID 459605

2-(m-chlorophenyl)-6-methoxyquinoline

Structural Information

Molecular Formula
C16H12ClNO
SMILES
COC1=CC2=C(C=C1)N=C(C=C2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H12ClNO/c1-19-14-6-8-16-12(10-14)5-7-15(18-16)11-3-2-4-13(17)9-11/h2-10H,1H3
InChIKey
SAODLKAFJYJBCP-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-6-methoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.06073 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06801 158.5
[M+Na]+ 292.04995 169.2
[M-H]- 268.05345 165.0
[M+NH4]+ 287.09455 175.6
[M+K]+ 308.02389 162.9
[M+H-H2O]+ 252.05799 150.5
[M+HCOO]- 314.05893 176.2
[M+CH3COO]- 328.07458 171.3
[M+Na-2H]- 290.03540 165.9
[M]+ 269.06018 162.2
[M]- 269.06128 162.2
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

No patent data available for this compound.