CID 4415860

52313-14-1

Structural Information

Molecular Formula
C17H14O2
SMILES
CC1C(=C(C(=O)O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H14O2/c1-12-15(13-8-4-2-5-9-13)16(17(18)19-12)14-10-6-3-7-11-14/h2-12H,1H3
InChIKey
DDMADUZLLJZTOA-UHFFFAOYSA-N
Compound name
2-methyl-3,4-diphenyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

250.09938 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10666 155.2
[M+Na]+ 273.08860 164.1
[M-H]- 249.09210 166.4
[M+NH4]+ 268.13320 172.9
[M+K]+ 289.06254 160.8
[M+H-H2O]+ 233.09664 148.1
[M+HCOO]- 295.09758 179.2
[M+CH3COO]- 309.11323 169.0
[M+Na-2H]- 271.07405 159.1
[M]+ 250.09883 156.1
[M]- 250.09993 156.1
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.