CID 46315205

2137628-57-8

Structural Information

Molecular Formula

C₇H₅F₃N₂O₂

SMILES

C1=C(C=NC(=C1N)C(=O)O)C(F)(F)F

InChI

InChI=1S/C7H5F3N2O2/c8-7(9,10)3-1-4(11)5(6(13)14)12-2-3/h1-2H,11H2,(H,13,14)

InChIKey

VROTWSPSBWKNQJ-UHFFFAOYSA-N

Compound name

3-amino-5-(trifluoromethyl)pyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 206.03032 Da
Monoisotopic Mass: 1.5
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]+	207.03760	141.8
[M+Na]+	229.01954	149.4
[M+NH4]+	224.06414	145.8
[M+K]+	244.99348	146.6
[M-H]-	205.02304	137.2
[M+Na-2H]-	227.00499	144.5
[M]+	206.02977	141.0
[M]-	206.03087	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe