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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05210 127.3
[M+Na]+ 183.03404 136.7
[M-H]- 159.03754 126.1
[M+NH4]+ 178.07864 147.2
[M+K]+ 199.00798 135.6
[M+H-H2O]+ 143.04208 119.0
[M+HCOO]- 205.04302 147.3
[M+CH3COO]- 219.05867 177.2
[M+Na-2H]- 181.01949 130.5
[M]+ 160.04427 125.5
[M]- 160.04537 125.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.