CID 39814907

4-(5-chloro-3-fluoropyridin-2-yl)piperazin-2-one

Structural Information

Molecular Formula
C9H9ClFN3O
SMILES
C1CN(CC(=O)N1)C2=C(C=C(C=N2)Cl)F
InChI
InChI=1S/C9H9ClFN3O/c10-6-3-7(11)9(13-4-6)14-2-1-12-8(15)5-14/h3-4H,1-2,5H2,(H,12,15)
InChIKey
IZBZJQSBNMHCEI-UHFFFAOYSA-N
Compound name
4-(5-chloro-3-fluoropyridin-2-yl)piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.04182 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.04910 147.0
[M+Na]+ 252.03104 156.0
[M-H]- 228.03454 146.6
[M+NH4]+ 247.07564 161.0
[M+K]+ 268.00498 150.3
[M+H-H2O]+ 212.03908 137.8
[M+HCOO]- 274.04002 157.7
[M+CH3COO]- 288.05567 157.6
[M+Na-2H]- 250.01649 150.9
[M]+ 229.04127 142.4
[M]- 229.04237 142.4
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.