CID 55064398

3-[4-(trifluoromethoxy)phenyl]piperazin-2-one

Structural Information

Molecular Formula
C11H11F3N2O2
SMILES
C1CNC(=O)C(N1)C2=CC=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C11H11F3N2O2/c12-11(13,14)18-8-3-1-7(2-4-8)9-10(17)16-6-5-15-9/h1-4,9,15H,5-6H2,(H,16,17)
InChIKey
ATODXPMVSDOZDP-UHFFFAOYSA-N
Compound name
3-[4-(trifluoromethoxy)phenyl]piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.07727 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08455 155.6
[M+Na]+ 283.06649 162.3
[M-H]- 259.06999 152.5
[M+NH4]+ 278.11109 167.9
[M+K]+ 299.04043 157.1
[M+H-H2O]+ 243.07453 145.2
[M+HCOO]- 305.07547 166.7
[M+CH3COO]- 319.09112 187.8
[M+Na-2H]- 281.05194 158.8
[M]+ 260.07672 145.6
[M]- 260.07782 145.6
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.