CID 2782930

6-hydroxy-4-(trifluoromethyl)nicotinic acid

Structural Information

Molecular Formula

C₇H₄F₃NO₃

SMILES

C1=C(C(=CNC1=O)C(=O)O)C(F)(F)F

InChI

InChI=1S/C7H4F3NO3/c8-7(9,10)4-1-5(12)11-2-3(4)6(13)14/h1-2H,(H,11,12)(H,13,14)

InChIKey

WCUKVMMGYGOCGJ-UHFFFAOYSA-N

Compound name

6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 46
Patents: 207.01433 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	208.02161	143.3
[M+Na]+	230.00355	151.3
[M+NH4]+	225.04815	146.7
[M+K]+	245.97749	148.5
[M-H]-	206.00705	137.4
[M+Na-2H]-	227.98900	145.4
[M]+	207.01378	142.2
[M]-	207.01488	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe