CID 5277441

(3e)-3-(2,6-dichlorobenzylidene)-5-(4-phenoxyphenyl)-2(3h)-furanone

Structural Information

Molecular Formula
C23H14Cl2O3
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C/C(=C\C4=C(C=CC=C4Cl)Cl)/C(=O)O3
InChI
InChI=1S/C23H14Cl2O3/c24-20-7-4-8-21(25)19(20)13-16-14-22(28-23(16)26)15-9-11-18(12-10-15)27-17-5-2-1-3-6-17/h1-14H/b16-13+
InChIKey
XAQLFAVDGOCUEF-DTQAZKPQSA-N
Compound name
(3E)-3-[(2,6-dichlorophenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.032 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.03928 197.6
[M+Na]+ 431.02122 208.1
[M-H]- 407.02472 210.6
[M+NH4]+ 426.06582 209.8
[M+K]+ 446.99516 200.7
[M+H-H2O]+ 391.02926 189.1
[M+HCOO]- 453.03020 210.9
[M+CH3COO]- 467.04585 208.5
[M+Na-2H]- 429.00667 196.9
[M]+ 408.03145 203.1
[M]- 408.03255 203.1
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.