CID 62352458

3-(2-fluorophenyl)piperazin-2-one

Structural Information

Molecular Formula
C10H11FN2O
SMILES
C1CNC(=O)C(N1)C2=CC=CC=C2F
InChI
InChI=1S/C10H11FN2O/c11-8-4-2-1-3-7(8)9-10(14)13-6-5-12-9/h1-4,9,12H,5-6H2,(H,13,14)
InChIKey
PAAFKWLOSVFMAD-UHFFFAOYSA-N
Compound name
3-(2-fluorophenyl)piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.08554 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.09282 141.8
[M+Na]+ 217.07476 148.5
[M-H]- 193.07826 141.3
[M+NH4]+ 212.11936 156.9
[M+K]+ 233.04870 143.4
[M+H-H2O]+ 177.08280 133.2
[M+HCOO]- 239.08374 156.9
[M+CH3COO]- 253.09939 177.4
[M+Na-2H]- 215.06021 146.0
[M]+ 194.08499 132.9
[M]- 194.08609 132.9
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.