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

1
Patents

267.06955 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.076826 157.7
[M+Na]+ 290.058768 167.1
[M-H]- 266.062274 161.9
[M+NH4]+ 285.103373 173.0
[M+K]+ 306.032708 161.5
[M+H-H2O]+ 250.066810 148.6
[M+HCOO]- 312.067751 176.8
[M+CH3COO]- 326.083401 169.4
[M+Na-2H]- 288.044216 163.5
[M]+ 267.06900142 156.5
[M]- 267.07009858 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