CID 28819505

2-methyl-6-(trifluoromethoxy)quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C12H8F3NO3
SMILES
CC1=C(C=C2C=C(C=CC2=N1)OC(F)(F)F)C(=O)O
InChI
InChI=1S/C12H8F3NO3/c1-6-9(11(17)18)5-7-4-8(19-12(13,14)15)2-3-10(7)16-6/h2-5H,1H3,(H,17,18)
InChIKey
OCKRJOKKUFCTOD-UHFFFAOYSA-N
Compound name
2-methyl-6-(trifluoromethoxy)quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.04562 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05290 158.7
[M+Na]+ 294.03484 168.3
[M+NH4]+ 289.07944 163.1
[M+K]+ 310.00878 164.0
[M-H]- 270.03834 154.6
[M+Na-2H]- 292.02029 161.6
[M]+ 271.04507 158.5
[M]- 271.04617 158.5
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

No patent data available for this compound.