CID 689051

484-33-3

Structural Information

Molecular Formula
C18H14O4
SMILES
COC1=C(C=CC2=C1C=CO2)C(=O)CC(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H14O4/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey
XTLSKKJNOIMMBK-UHFFFAOYSA-N
Compound name
1-(4-methoxy-1-benzofuran-5-yl)-3-phenylpropane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

318
Patents

294.0892 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09648 166.0
[M+Na]+ 317.07842 174.7
[M-H]- 293.08192 175.0
[M+NH4]+ 312.12302 182.5
[M+K]+ 333.05236 172.5
[M+H-H2O]+ 277.08646 158.8
[M+HCOO]- 339.08740 189.2
[M+CH3COO]- 353.10305 202.0
[M+Na-2H]- 315.06387 170.2
[M]+ 294.08865 171.8
[M]- 294.08975 171.8
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

patents stripe