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

12
Patents

212.07613 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08341 144.8
[M+Na]+ 235.06535 152.4
[M-H]- 211.06885 143.3
[M+NH4]+ 230.10995 159.3
[M+K]+ 251.03929 146.9
[M+H-H2O]+ 195.07339 135.4
[M+HCOO]- 257.07433 158.7
[M+CH3COO]- 271.08998 181.3
[M+Na-2H]- 233.05080 147.6
[M]+ 212.07558 135.2
[M]- 212.07668 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