CID 54676481

Brn 5971118

Structural Information

Molecular Formula
C17H10Cl2O3
SMILES
C1=CC(=CC=C1/C=C/2\C(=C(C(=O)O2)C3=CC=C(C=C3)Cl)O)Cl
InChI
InChI=1S/C17H10Cl2O3/c18-12-5-1-10(2-6-12)9-14-16(20)15(17(21)22-14)11-3-7-13(19)8-4-11/h1-9,20H/b14-9+
InChIKey
PSPLALBYOSPNBV-NTEUORMPSA-N
Compound name
(5E)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-4-hydroxyfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.0007 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.00798 173.9
[M+Na]+ 354.98992 185.3
[M-H]- 330.99342 183.3
[M+NH4]+ 350.03452 189.2
[M+K]+ 370.96386 178.4
[M+H-H2O]+ 314.99796 168.1
[M+HCOO]- 376.99890 186.7
[M+CH3COO]- 391.01455 186.1
[M+Na-2H]- 352.97537 174.4
[M]+ 332.00015 178.0
[M]- 332.00125 178.0
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.