CID 5337172

304896-61-5

Structural Information

Molecular Formula
C17H11ClO3
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)/C=C/C(=O)C3=CC=CO3)Cl
InChI
InChI=1S/C17H11ClO3/c18-14-5-2-1-4-13(14)16-10-8-12(21-16)7-9-15(19)17-6-3-11-20-17/h1-11H/b9-7+
InChIKey
HSQSDYZIMHIVGW-VQHVLOKHSA-N
Compound name
(E)-3-[5-(2-chlorophenyl)furan-2-yl]-1-(furan-2-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
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 168.4
[M+Na]+ 321.02889 178.9
[M-H]- 297.03239 180.4
[M+NH4]+ 316.07349 185.2
[M+K]+ 337.00283 175.2
[M+H-H2O]+ 281.03693 162.7
[M+HCOO]- 343.03787 189.5
[M+CH3COO]- 357.05352 182.2
[M+Na-2H]- 319.01434 170.8
[M]+ 298.03912 175.4
[M]- 298.04022 175.4
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.