CID 4188965

216059-95-9

Structural Information

Molecular Formula
C16H11NO2
SMILES
C1=CC2=C(C(=C1)C3=CC=C(C=C3)C(=O)O)N=CC=C2
InChI
InChI=1S/C16H11NO2/c18-16(19)13-8-6-11(7-9-13)14-5-1-3-12-4-2-10-17-15(12)14/h1-10H,(H,18,19)
InChIKey
ZHVGZDKFCXKGQH-UHFFFAOYSA-N
Compound name
4-quinolin-8-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

249.07898 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.086256 154.5
[M+Na]+ 272.068198 162.9
[M-H]- 248.071704 159.7
[M+NH4]+ 267.112803 170.3
[M+K]+ 288.042138 157.8
[M+H-H2O]+ 232.076240 146.2
[M+HCOO]- 294.077181 174.7
[M+CH3COO]- 308.092831 166.5
[M+Na-2H]- 270.053646 161.7
[M]+ 249.07843142 153.9
[M]- 249.07952858 153.9
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