CID 3043399

1-piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, acetate (ester), monohydrochloride

Structural Information

Molecular Formula
C15H19F3N2O2
SMILES
CC(=O)OCCN1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C15H19F3N2O2/c1-12(21)22-10-9-19-5-7-20(8-6-19)14-4-2-3-13(11-14)15(16,17)18/h2-4,11H,5-10H2,1H3
InChIKey
MZAYDLBFDPZQAM-UHFFFAOYSA-N
Compound name
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

316.13986 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.14714 175.9
[M+Na]+ 339.12908 183.7
[M+NH4]+ 334.17368 179.7
[M+K]+ 355.10302 178.6
[M-H]- 315.13258 172.7
[M+Na-2H]- 337.11453 178.7
[M]+ 316.13931 175.6
[M]- 316.14041 175.6
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

patents stripe