CID 39871634

1803587-02-1

Structural Information

Molecular Formula

C₆H₅F₃N₂O

SMILES

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

InChI

InChI=1S/C6H5F3N2O/c7-6(8,9)4-2-1-3(10)5(12)11-4/h1-2H,10H2,(H,11,12)

InChIKey

SAPBOWOBNMUXME-UHFFFAOYSA-N

Compound name

3-amino-6-(trifluoromethyl)-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 178.0354 Da
Monoisotopic Mass: 0.6
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]+	179.04268	134.9
[M+Na]+	201.02462	143.5
[M+NH4]+	196.06922	139.7
[M+K]+	216.99856	139.7
[M-H]-	177.02812	131.0
[M+Na-2H]-	199.01007	138.6
[M]+	178.03485	134.6
[M]-	178.03595	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe