CID 4348599

87358-98-3

Structural Information

Molecular Formula
C13H14ClF3N2O
SMILES
C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CCl
InChI
InChI=1S/C13H14ClF3N2O/c14-9-12(20)19-6-4-18(5-7-19)11-3-1-2-10(8-11)13(15,16)17/h1-3,8H,4-7,9H2
InChIKey
ZBHZRRFNIURTET-UHFFFAOYSA-N
Compound name
2-chloro-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.07468 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08196 165.2
[M+Na]+ 329.06390 172.4
[M-H]- 305.06740 164.4
[M+NH4]+ 324.10850 178.0
[M+K]+ 345.03784 166.8
[M+H-H2O]+ 289.07194 154.4
[M+HCOO]- 351.07288 172.9
[M+CH3COO]- 365.08853 200.6
[M+Na-2H]- 327.04935 166.7
[M]+ 306.07413 159.6
[M]- 306.07523 159.6
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

No patent data available for this compound.