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 157.7
[M+Na]+ 290.05877 167.1
[M-H]- 266.06227 161.9
[M+NH4]+ 285.10337 173.0
[M+K]+ 306.03271 161.5
[M+H-H2O]+ 250.06681 148.6
[M+HCOO]- 312.06775 176.8
[M+CH3COO]- 326.08340 169.4
[M+Na-2H]- 288.04422 163.5
[M]+ 267.06900 156.5
[M]- 267.07010 156.5
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