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]+ 157.07717 131.3
[M+Na]+ 179.05911 139.5
[M-H]- 155.06261 129.8
[M+NH4]+ 174.10371 150.6
[M+K]+ 195.03305 137.7
[M+H-H2O]+ 139.06715 124.3
[M+HCOO]- 201.06809 149.9
[M+CH3COO]- 215.08374 173.0
[M+Na-2H]- 177.04456 136.5
[M]+ 156.06934 128.7
[M]- 156.07044 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.