CID 79877091

2-[(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C9H6F6N2O2
SMILES
C1=CC(=NC(=C1C(=O)O)NCC(F)(F)F)C(F)(F)F
InChI
InChI=1S/C9H6F6N2O2/c10-8(11,12)3-16-6-4(7(18)19)1-2-5(17-6)9(13,14)15/h1-2H,3H2,(H,16,17)(H,18,19)
InChIKey
VWPVEMDXWFZCHL-UHFFFAOYSA-N
Compound name
2-(2,2,2-trifluoroethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.03336 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.04064 167.8
[M+Na]+ 311.02258 171.3
[M+NH4]+ 306.06718 168.5
[M+K]+ 326.99652 168.9
[M-H]- 287.02608 160.0
[M+Na-2H]- 309.00803 167.4
[M]+ 288.03281 165.5
[M]- 288.03391 165.5
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.