CID 5277434

(3e)-3-benzylidene-5-(4-phenoxyphenyl)furan-2-one

Structural Information

Molecular Formula
C23H16O3
SMILES
C1=CC=C(C=C1)/C=C/2\C=C(OC2=O)C3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C23H16O3/c24-23-19(15-17-7-3-1-4-8-17)16-22(26-23)18-11-13-21(14-12-18)25-20-9-5-2-6-10-20/h1-16H/b19-15+
InChIKey
XRVGUIZOIKWVIC-XDJHFCHBSA-N
Compound name
(3E)-3-benzylidene-5-(4-phenoxyphenyl)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.10995 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.11723 180.6
[M+Na]+ 363.09917 188.1
[M-H]- 339.10267 194.1
[M+NH4]+ 358.14377 193.5
[M+K]+ 379.07311 183.1
[M+H-H2O]+ 323.10721 171.2
[M+HCOO]- 385.10815 203.8
[M+CH3COO]- 399.12380 192.3
[M+Na-2H]- 361.08462 183.0
[M]+ 340.10940 181.2
[M]- 340.11050 181.2
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.