CID 5337182

304896-62-6

Structural Information

Molecular Formula
C17H11ClO3
SMILES
C1=CC(=CC(=C1)Cl)C2=CC=C(O2)/C=C/C(=O)C3=CC=CO3
InChI
InChI=1S/C17H11ClO3/c18-13-4-1-3-12(11-13)16-9-7-14(21-16)6-8-15(19)17-5-2-10-20-17/h1-11H/b8-6+
InChIKey
LIQCKFSQJSYYJW-SOFGYWHQSA-N
Compound name
(E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-(furan-2-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.03967 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.04695 164.7
[M+Na]+ 321.02889 180.5
[M+NH4]+ 316.07349 173.1
[M+K]+ 337.00283 176.4
[M-H]- 297.03239 172.4
[M+Na-2H]- 319.01434 173.5
[M]+ 298.03912 169.6
[M]- 298.04022 169.6
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.