CID 6436835

76691-09-3

Structural Information

Molecular Formula
C21H20F4N2O
SMILES
C/C(=C/C(=O)C1=CC(=CC=C1)F)/N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C21H20F4N2O/c1-15(12-20(28)16-4-2-6-18(22)13-16)26-8-10-27(11-9-26)19-7-3-5-17(14-19)21(23,24)25/h2-7,12-14H,8-11H2,1H3/b15-12-
InChIKey
ISLCZEPNQACFRU-QINSGFPZSA-N
Compound name
(Z)-1-(3-fluorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.15118 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.15846 193.7
[M+Na]+ 415.14040 201.8
[M+NH4]+ 410.18500 196.7
[M+K]+ 431.11434 195.8
[M-H]- 391.14390 191.5
[M+Na-2H]- 413.12585 197.4
[M]+ 392.15063 193.8
[M]- 392.15173 193.8
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.