CID 2775138

49713-47-5

Structural Information

Molecular Formula
C11H6F3NO3
SMILES
C1=CC2=C(C=C1C(F)(F)F)C(=O)C(=CN2)C(=O)O
InChI
InChI=1S/C11H6F3NO3/c12-11(13,14)5-1-2-8-6(3-5)9(16)7(4-15-8)10(17)18/h1-4H,(H,15,16)(H,17,18)
InChIKey
VUPSPASQZKLXMI-UHFFFAOYSA-N
Compound name
4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

257.02997 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.03725 153.9
[M+Na]+ 280.01919 163.2
[M+NH4]+ 275.06379 157.9
[M+K]+ 295.99313 159.4
[M-H]- 256.02269 149.2
[M+Na-2H]- 278.00464 156.4
[M]+ 257.02942 153.4
[M]- 257.03052 153.4
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