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]+ 270.068006 158.5
[M+Na]+ 292.049948 169.2
[M-H]- 268.053454 165.0
[M+NH4]+ 287.094553 175.6
[M+K]+ 308.023888 162.9
[M+H-H2O]+ 252.057990 150.5
[M+HCOO]- 314.058931 176.2
[M+CH3COO]- 328.074581 171.3
[M+Na-2H]- 290.035396 165.9
[M]+ 269.06018142 162.2
[M]- 269.06127858 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.