CID 19610207

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

Structural Information

Molecular Formula
C11H11F3N2O
SMILES
C1CNC(=O)C(N1)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C11H11F3N2O/c12-11(13,14)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
RKKAPCSDNLGCTJ-UHFFFAOYSA-N
Compound name
3-[4-(trifluoromethyl)phenyl]piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 152.7
[M+Na]+ 267.07157 159.5
[M-H]- 243.07507 149.6
[M+NH4]+ 262.11617 165.7
[M+K]+ 283.04551 153.7
[M+H-H2O]+ 227.07961 142.5
[M+HCOO]- 289.08055 163.6
[M+CH3COO]- 303.09620 185.7
[M+Na-2H]- 265.05702 155.8
[M]+ 244.08180 141.2
[M]- 244.08290 141.2
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