CID 57475879

1250130-41-6

Structural Information

Molecular Formula

C₈H₆F₃NO₃

SMILES

C1=CC(=C(N=C1)C(=O)O)OCC(F)(F)F

InChI

InChI=1S/C8H6F3NO3/c9-8(10,11)4-15-5-2-1-3-12-6(5)7(13)14/h1-3H,4H2,(H,13,14)

InChIKey

ZYVCUJPSTZGVCU-UHFFFAOYSA-N

Compound name

3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 87
Patents: 221.02998 Da
Monoisotopic Mass: 1.8
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]+	222.03726	147.2
[M+Na]+	244.01920	155.2
[M+NH4]+	239.06380	151.1
[M+K]+	259.99314	151.9
[M-H]-	220.02270	142.0
[M+Na-2H]-	242.00465	150.1
[M]+	221.02943	146.4
[M]-	221.03053	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe