CID 297679

3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl 2-benzoylbenzoate

Structural Information

Molecular Formula
C28H18O5
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC3(C4=CC=CC=C4C(=O)O3)C5=CC=CC=C5
InChI
InChI=1S/C28H18O5/c29-25(19-11-3-1-4-12-19)21-15-7-8-16-22(21)26(30)32-28(20-13-5-2-6-14-20)24-18-10-9-17-23(24)27(31)33-28/h1-18H
InChIKey
KTTJRRFDZFMDHF-UHFFFAOYSA-N
Compound name
(3-oxo-1-phenyl-2-benzofuran-1-yl) 2-benzoylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.11542 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.12270 205.5
[M+Na]+ 457.10464 212.0
[M-H]- 433.10814 219.7
[M+NH4]+ 452.14924 216.5
[M+K]+ 473.07858 208.2
[M+H-H2O]+ 417.11268 194.8
[M+HCOO]- 479.11362 224.7
[M+CH3COO]- 493.12927 215.1
[M+Na-2H]- 455.09009 206.7
[M]+ 434.11487 207.3
[M]- 434.11597 207.3
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.