CID 56837361

1360540-81-3

Structural Information

Molecular Formula
C18H16O4
SMILES
C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H16O4/c19-15(13-4-2-1-3-5-13)7-8-16(20)14-6-9-17-18(12-14)22-11-10-21-17/h1-6,9,12H,7-8,10-11H2
InChIKey
AOCDRSSVFUCURK-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutane-1,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

94
Patents

296.10486 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11214 166.7
[M+Na]+ 319.09408 180.6
[M+NH4]+ 314.13868 174.6
[M+K]+ 335.06802 174.2
[M-H]- 295.09758 173.4
[M+Na-2H]- 317.07953 173.2
[M]+ 296.10431 170.6
[M]- 296.10541 170.6
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

patents stripe