CID 55064401

3-[2-(trifluoromethyl)phenyl]piperazin-2-one

Structural Information

Molecular Formula
C11H11F3N2O
SMILES
C1CNC(=O)C(N1)C2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C11H11F3N2O/c12-11(13,14)8-4-2-1-3-7(8)9-10(17)16-6-5-15-9/h1-4,9,15H,5-6H2,(H,16,17)
InChIKey
UNNPWQGMNWCJJY-UHFFFAOYSA-N
Compound name
3-[2-(trifluoromethyl)phenyl]piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.08235 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08963 156.3
[M+Na]+ 267.07157 164.6
[M+NH4]+ 262.11617 160.7
[M+K]+ 283.04551 159.8
[M-H]- 243.07507 153.0
[M+Na-2H]- 265.05702 159.8
[M]+ 244.08180 156.0
[M]- 244.08290 156.0
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.