CID 10468173

7-fluoro-2-phenylquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C16H10FNO2
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)F)C(=C2)C(=O)O
InChI
InChI=1S/C16H10FNO2/c17-11-6-7-12-13(16(19)20)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9H,(H,19,20)
InChIKey
MUTUDFZNRULRAE-UHFFFAOYSA-N
Compound name
7-fluoro-2-phenylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

267.06955 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.07683 159.4
[M+Na]+ 290.05877 174.9
[M+NH4]+ 285.10337 167.4
[M+K]+ 306.03271 167.0
[M-H]- 266.06227 162.4
[M+Na-2H]- 288.04422 168.0
[M]+ 267.06900 162.5
[M]- 267.07010 162.5
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