CID 6436836

76691-08-2

Structural Information

Molecular Formula
C20H20F2N2O
SMILES
C/C(=C/C(=O)C1=CC(=CC=C1)F)/N2CCN(CC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H20F2N2O/c1-15(13-20(25)16-3-2-4-18(22)14-16)23-9-11-24(12-10-23)19-7-5-17(21)6-8-19/h2-8,13-14H,9-12H2,1H3/b15-13-
InChIKey
NXJRWRJFMYUQSD-SQFISAMPSA-N
Compound name
(Z)-1-(3-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.15436 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.16164 181.9
[M+Na]+ 365.14358 186.9
[M-H]- 341.14708 185.0
[M+NH4]+ 360.18818 191.5
[M+K]+ 381.11752 180.4
[M+H-H2O]+ 325.15162 169.2
[M+HCOO]- 387.15256 194.8
[M+CH3COO]- 401.16821 212.5
[M+Na-2H]- 363.12903 180.3
[M]+ 342.15381 174.7
[M]- 342.15491 174.7
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.