CID 6450931

104941-02-8

Structural Information

Molecular Formula
C20H13ClFNO2
SMILES
C1=CC(=O)N(C=C1)/C(=C\C2=CC=C(C=C2)F)/C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H13ClFNO2/c21-16-8-6-15(7-9-16)20(25)18(23-12-2-1-3-19(23)24)13-14-4-10-17(22)11-5-14/h1-13H/b18-13-
InChIKey
BWYZZCATCCVPLI-AQTBWJFISA-N
Compound name
1-[(Z)-3-(4-chlorophenyl)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.0619 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.06918 178.6
[M+Na]+ 376.05112 187.6
[M-H]- 352.05462 185.6
[M+NH4]+ 371.09572 190.4
[M+K]+ 392.02506 179.8
[M+H-H2O]+ 336.05916 168.3
[M+HCOO]- 398.06010 194.1
[M+CH3COO]- 412.07575 211.1
[M+Na-2H]- 374.03657 180.3
[M]+ 353.06135 179.5
[M]- 353.06245 179.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.