CID 39732567

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

Structural Information

Molecular Formula
C11H6F3NO4
SMILES
C1=CC2=C(C(=C1)OC(F)(F)F)NC=C(C2=O)C(=O)O
InChI
InChI=1S/C11H6F3NO4/c12-11(13,14)19-7-3-1-2-5-8(7)15-4-6(9(5)16)10(17)18/h1-4H,(H,15,16)(H,17,18)
InChIKey
PAQOAIXSLIRCTC-UHFFFAOYSA-N
Compound name
4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0249 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.03218 152.0
[M+Na]+ 296.01412 162.4
[M-H]- 272.01762 149.5
[M+NH4]+ 291.05872 166.7
[M+K]+ 311.98806 158.1
[M+H-H2O]+ 256.02216 143.4
[M+HCOO]- 318.02310 166.7
[M+CH3COO]- 332.03875 191.5
[M+Na-2H]- 293.99957 157.3
[M]+ 273.02435 149.1
[M]- 273.02545 149.1
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