CID 64236226

3-amino-1-(2,4-difluorophenyl)piperidin-2-one

Structural Information

Molecular Formula
C11H12F2N2O
SMILES
C1CC(C(=O)N(C1)C2=C(C=C(C=C2)F)F)N
InChI
InChI=1S/C11H12F2N2O/c12-7-3-4-10(8(13)6-7)15-5-1-2-9(14)11(15)16/h3-4,6,9H,1-2,5,14H2
InChIKey
ICHBVVBYLROTKC-UHFFFAOYSA-N
Compound name
3-amino-1-(2,4-difluorophenyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.09177 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.099046 147.8
[M+Na]+ 249.080988 156.0
[M-H]- 225.084494 150.2
[M+NH4]+ 244.125593 164.3
[M+K]+ 265.054928 151.8
[M+H-H2O]+ 209.089030 138.5
[M+HCOO]- 271.089971 166.2
[M+CH3COO]- 285.105621 192.1
[M+Na-2H]- 247.066436 149.7
[M]+ 226.09122142 140.4
[M]- 226.09231858 140.4
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.