CID 3034594

76880-22-3

Structural Information

Molecular Formula
C20H20ClFN2O
SMILES
C/C(=C\N1CCN(CC1)C2=CC=CC=C2Cl)/C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H20ClFN2O/c1-15(20(25)16-6-8-17(22)9-7-16)14-23-10-12-24(13-11-23)19-5-3-2-4-18(19)21/h2-9,14H,10-13H2,1H3/b15-14+
InChIKey
BKFUIKYDZIYVIQ-CCEZHUSRSA-N
Compound name
(E)-3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)-2-methylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.12482 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.13210 184.0
[M+Na]+ 381.11404 189.7
[M-H]- 357.11754 188.3
[M+NH4]+ 376.15864 194.0
[M+K]+ 397.08798 182.2
[M+H-H2O]+ 341.12208 172.7
[M+HCOO]- 403.12302 193.5
[M+CH3COO]- 417.13867 213.4
[M+Na-2H]- 379.09949 182.7
[M]+ 358.12427 180.3
[M]- 358.12537 180.3
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.