CID 723163

2-(4-fluorophenyl)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C16H10FNO2
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)F)C(=O)O
InChI
InChI=1S/C16H10FNO2/c17-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)18-15/h1-9H,(H,19,20)
InChIKey
OSSAIQFBELCOGQ-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

36
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

literature stripe

Patent stripe

patents stripe