CID 4389453

3-acetyl-4,5-diphenyl-2(5h)-furanone

Structural Information

Molecular Formula
C18H14O3
SMILES
CC(=O)C1=C(C(OC1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H14O3/c1-12(19)15-16(13-8-4-2-5-9-13)17(21-18(15)20)14-10-6-3-7-11-14/h2-11,17H,1H3
InChIKey
LPBNLPDTGBWCDP-UHFFFAOYSA-N
Compound name
4-acetyl-2,3-diphenyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10158 162.4
[M+Na]+ 301.08352 170.5
[M-H]- 277.08702 173.4
[M+NH4]+ 296.12812 178.6
[M+K]+ 317.05746 167.6
[M+H-H2O]+ 261.09156 155.0
[M+HCOO]- 323.09250 185.3
[M+CH3COO]- 337.10815 199.1
[M+Na-2H]- 299.06897 164.6
[M]+ 278.09375 163.7
[M]- 278.09485 163.7
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.