CID 62350696

3-(2,4-difluorophenyl)piperazin-2-one

Structural Information

Molecular Formula
C10H10F2N2O
SMILES
C1CNC(=O)C(N1)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C10H10F2N2O/c11-6-1-2-7(8(12)5-6)9-10(15)14-4-3-13-9/h1-2,5,9,13H,3-4H2,(H,14,15)
InChIKey
KLPOQBVNJFGBHO-UHFFFAOYSA-N
Compound name
3-(2,4-difluorophenyl)piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

212.07613 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.083406 144.8
[M+Na]+ 235.065348 152.4
[M-H]- 211.068854 143.3
[M+NH4]+ 230.109953 159.3
[M+K]+ 251.039288 146.9
[M+H-H2O]+ 195.073390 135.4
[M+HCOO]- 257.074331 158.7
[M+CH3COO]- 271.089981 181.3
[M+Na-2H]- 233.050796 147.6
[M]+ 212.07558142 135.2
[M]- 212.07667858 135.2
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

patents stripe