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]+ 261.084546 155.6
[M+Na]+ 283.066488 162.3
[M-H]- 259.069994 152.5
[M+NH4]+ 278.111093 167.9
[M+K]+ 299.040428 157.1
[M+H-H2O]+ 243.074530 145.2
[M+HCOO]- 305.075471 166.7
[M+CH3COO]- 319.091121 187.8
[M+Na-2H]- 281.051936 158.8
[M]+ 260.07672142 145.6
[M]- 260.07781858 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.