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]+ 375.07826 189.8
[M+Na]+ 397.06020 199.1
[M-H]- 373.06370 203.4
[M+NH4]+ 392.10480 202.6
[M+K]+ 413.03414 192.6
[M+H-H2O]+ 357.06824 180.9
[M+HCOO]- 419.06918 208.3
[M+CH3COO]- 433.08483 201.3
[M+Na-2H]- 395.04565 190.8
[M]+ 374.07043 193.3
[M]- 374.07153 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.