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]+	161.052096	127.3
[M+Na]+	183.034038	136.7
[M-H]-	159.037544	126.1
[M+NH4]+	178.078643	147.2
[M+K]+	199.007978	135.6
[M+H-H2O]+	143.042080	119.0
[M+HCOO]-	205.043021	147.3
[M+CH3COO]-	219.058671	177.2
[M+Na-2H]-	181.019486	130.5
[M]+	160.04427142	125.5
[M]-	160.04536858	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.