CID 63373890

4-(2,2,2-trifluoroethoxy)quinoline-2-carboxylic acid

Structural Information

Molecular Formula
C12H8F3NO3
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C(=O)O)OCC(F)(F)F
InChI
InChI=1S/C12H8F3NO3/c13-12(14,15)6-19-10-5-9(11(17)18)16-8-4-2-1-3-7(8)10/h1-5H,6H2,(H,17,18)
InChIKey
UMAKMMZASHZIIE-UHFFFAOYSA-N
Compound name
4-(2,2,2-trifluoroethoxy)quinoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

271.04562 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05290 157.9
[M+Na]+ 294.03484 167.3
[M+NH4]+ 289.07944 162.4
[M+K]+ 310.00878 162.8
[M-H]- 270.03834 153.8
[M+Na-2H]- 292.02029 161.1
[M]+ 271.04507 157.7
[M]- 271.04617 157.7
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