CID 22690293

2-oxo-8-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

257.02997 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

patents stripe