CID 165661511

2,2-difluoro-1-(5-methyl-1h-imidazol-2-yl)ethan-1-one

Structural Information

Molecular Formula
C6H6F2N2O
SMILES
CC1=CN=C(N1)C(=O)C(F)F
InChI
InChI=1S/C6H6F2N2O/c1-3-2-9-6(10-3)4(11)5(7)8/h2,5H,1H3,(H,9,10)
InChIKey
XGZZFKXIDZXTEK-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-(5-methyl-1H-imidazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.04482 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05210 133.0
[M+Na]+ 183.03404 141.5
[M+NH4]+ 178.07864 138.3
[M+K]+ 199.00798 139.4
[M-H]- 159.03754 129.0
[M+Na-2H]- 181.01949 135.7
[M]+ 160.04427 132.5
[M]- 160.04537 132.5
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.