CID 3021872

91703-25-2

Structural Information

Molecular Formula
C15H17ClF3N3O
SMILES
C1CC(=O)NC1N2CCN(CC2)C3=CC(=C(C=C3)Cl)C(F)(F)F
InChI
InChI=1S/C15H17ClF3N3O/c16-12-2-1-10(9-11(12)15(17,18)19)21-5-7-22(8-6-21)13-3-4-14(23)20-13/h1-2,9,13H,3-8H2,(H,20,23)
InChIKey
FQYJXIHFYAIUFY-UHFFFAOYSA-N
Compound name
5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

347.10123 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.10851 179.3
[M+Na]+ 370.09045 186.3
[M-H]- 346.09395 178.9
[M+NH4]+ 365.13505 190.0
[M+K]+ 386.06439 178.7
[M+H-H2O]+ 330.09849 167.3
[M+HCOO]- 392.09943 183.5
[M+CH3COO]- 406.11508 205.5
[M+Na-2H]- 368.07590 176.3
[M]+ 347.10068 170.0
[M]- 347.10178 170.0
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

patents stripe