CID 90260

4-hydroxy-8-(trifluoromethyl)quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C11H6F3NO3
SMILES
C1=CC2=C(C(=C1)C(F)(F)F)NC=C(C2=O)C(=O)O
InChI
InChI=1S/C11H6F3NO3/c12-11(13,14)7-3-1-2-5-8(7)15-4-6(9(5)16)10(17)18/h1-4H,(H,15,16)(H,17,18)
InChIKey
GQZVPBYGGIQINZ-UHFFFAOYSA-N
Compound name
4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

54
Patents

257.02997 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.037246 149.1
[M+Na]+ 280.019188 159.8
[M-H]- 256.022694 146.6
[M+NH4]+ 275.063793 164.6
[M+K]+ 295.993128 154.8
[M+H-H2O]+ 240.027230 140.8
[M+HCOO]- 302.028171 163.7
[M+CH3COO]- 316.043821 189.3
[M+Na-2H]- 278.004636 154.3
[M]+ 257.02942142 144.8
[M]- 257.03051858 144.8
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