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]+ 245.089626 152.7
[M+Na]+ 267.071568 159.5
[M-H]- 243.075074 149.6
[M+NH4]+ 262.116173 165.7
[M+K]+ 283.045508 153.7
[M+H-H2O]+ 227.079610 142.5
[M+HCOO]- 289.080551 163.6
[M+CH3COO]- 303.096201 185.7
[M+Na-2H]- 265.057016 155.8
[M]+ 244.08180142 141.2
[M]- 244.08289858 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