CID 11064536

4-(trifluoromethyl)quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C11H6F3NO2
SMILES
C1=CC=C2C(=C1)C(=C(C=N2)C(=O)O)C(F)(F)F
InChI
InChI=1S/C11H6F3NO2/c12-11(13,14)9-6-3-1-2-4-8(6)15-5-7(9)10(16)17/h1-5H,(H,16,17)
InChIKey
DPBXCLYXJCGTOU-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

241.03506 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04234 150.8
[M+Na]+ 264.02428 160.9
[M+NH4]+ 259.06888 156.0
[M+K]+ 279.99822 156.1
[M-H]- 240.02778 147.2
[M+Na-2H]- 262.00973 154.7
[M]+ 241.03451 150.9
[M]- 241.03561 150.9
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