CID 49871140

2-(trifluoromethoxy)isonicotinic acid

Structural Information

Molecular Formula

C₇H₄F₃NO₃

SMILES

C1=CN=C(C=C1C(=O)O)OC(F)(F)F

InChI

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

InChIKey

PGAJZMZZYBMULE-UHFFFAOYSA-N

Compound name

2-(trifluoromethoxy)pyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 207.01433 Da
Monoisotopic Mass: 2.1
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	143.0
[M+Na]+	230.00355	151.2
[M+NH4]+	225.04815	147.1
[M+K]+	245.97749	148.1
[M-H]-	206.00705	137.9
[M+Na-2H]-	227.98900	146.1
[M]+	207.01378	142.2
[M]-	207.01488	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe