CID 112705391

1566656-37-8

Structural Information

Molecular Formula

C₆H₆F₂N₂O

SMILES

CN1C=CN=C1C(=O)C(F)F

InChI

InChI=1S/C6H6F2N2O/c1-10-3-2-9-6(10)4(11)5(7)8/h2-3,5H,1H3

InChIKey

MCBMWZBZLNNQIY-UHFFFAOYSA-N

Compound name

2,2-difluoro-1-(1-methylimidazol-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 160.04482 Da
Monoisotopic Mass: 0.9
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]+	161.05210	132.9
[M+Na]+	183.03404	141.9
[M+NH4]+	178.07864	138.6
[M+K]+	199.00798	139.6
[M-H]-	159.03754	129.4
[M+Na-2H]-	181.01949	136.2
[M]+	160.04427	132.7
[M]-	160.04537	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.