CID 165661510

2-fluoro-1-(1h-imidazol-2-yl)-2-methylpropan-1-one

Structural Information

Molecular Formula
C7H9FN2O
SMILES
CC(C)(C(=O)C1=NC=CN1)F
InChI
InChI=1S/C7H9FN2O/c1-7(2,8)5(11)6-9-3-4-10-6/h3-4H,1-2H3,(H,9,10)
InChIKey
NWZBUIOHMXKGTE-UHFFFAOYSA-N
Compound name
2-fluoro-1-(1H-imidazol-2-yl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.06989 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.077166 131.3
[M+Na]+ 179.059108 139.5
[M-H]- 155.062614 129.8
[M+NH4]+ 174.103713 150.6
[M+K]+ 195.033048 137.7
[M+H-H2O]+ 139.067150 124.3
[M+HCOO]- 201.068091 149.9
[M+CH3COO]- 215.083741 173.0
[M+Na-2H]- 177.044556 136.5
[M]+ 156.06934142 128.7
[M]- 156.07043858 128.7
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.