CID 97617924

1708079-34-8

Structural Information

Molecular Formula

C₆H₆F₂N₂O

SMILES

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

InChI

InChI=1S/C6H6F2N2O/c7-6(8)10-2-1-4(9)3-5(10)11/h1-3,6H,9H2

InChIKey

MLROLQMSAHRFGA-UHFFFAOYSA-N

Compound name

4-amino-1-(difluoromethyl)pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 160.04482 Da
Monoisotopic Mass: 0.4
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]+	161.052096	126.4
[M+Na]+	183.034038	136.2
[M-H]-	159.037544	126.4
[M+NH4]+	178.078643	145.6
[M+K]+	199.007978	133.9
[M+H-H2O]+	143.042080	118.5
[M+HCOO]-	205.043021	148.3
[M+CH3COO]-	219.058671	178.8
[M+Na-2H]-	181.019486	131.6
[M]+	160.04427142	122.5
[M]-	160.04536858	122.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe