CID 44407463

2-(3-chlorostyryl)quinoline-7-carboxylic acid

Structural Information

Molecular Formula
C18H12ClNO2
SMILES
C1=CC(=CC(=C1)Cl)/C=C/C2=NC3=C(C=CC(=C3)C(=O)O)C=C2
InChI
InChI=1S/C18H12ClNO2/c19-15-3-1-2-12(10-15)4-8-16-9-7-13-5-6-14(18(21)22)11-17(13)20-16/h1-11H,(H,21,22)/b8-4+
InChIKey
QAFKLMYMWZWHGZ-XBXARRHUSA-N
Compound name
2-[(E)-2-(3-chlorophenyl)ethenyl]quinoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

309.05566 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.06294 168.9
[M+Na]+ 332.04488 178.5
[M-H]- 308.04838 173.9
[M+NH4]+ 327.08948 183.4
[M+K]+ 348.01882 170.8
[M+H-H2O]+ 292.05292 161.0
[M+HCOO]- 354.05386 184.0
[M+CH3COO]- 368.06951 180.0
[M+Na-2H]- 330.03033 173.8
[M]+ 309.05511 170.9
[M]- 309.05621 170.9
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

No patent data available for this compound.