CID 5277439

(3e)-3-(4-chlorobenzylidene)-5-(4-phenoxyphenyl)-2(3h)-furanone

Structural Information

Molecular Formula
C23H15ClO3
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C/C(=C\C4=CC=C(C=C4)Cl)/C(=O)O3
InChI
InChI=1S/C23H15ClO3/c24-19-10-6-16(7-11-19)14-18-15-22(27-23(18)25)17-8-12-21(13-9-17)26-20-4-2-1-3-5-20/h1-15H/b18-14+
InChIKey
WUFILFSSMGXJSX-NBVRZTHBSA-N
Compound name
(3E)-3-[(4-chlorophenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.07098 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.078256 189.8
[M+Na]+ 397.060198 199.1
[M-H]- 373.063704 203.4
[M+NH4]+ 392.104803 202.6
[M+K]+ 413.034138 192.6
[M+H-H2O]+ 357.068240 180.9
[M+HCOO]- 419.069181 208.3
[M+CH3COO]- 433.084831 201.3
[M+Na-2H]- 395.045646 190.8
[M]+ 374.07043142 193.3
[M]- 374.07152858 193.3
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.