CID 595405

St001878

Structural Information

Molecular Formula
C13H8O4
SMILES
C1=COC(=C1)C(=O)C2=COC3=C2C=C(C=C3)O
InChI
InChI=1S/C13H8O4/c14-8-3-4-11-9(6-8)10(7-17-11)13(15)12-2-1-5-16-12/h1-7,14H
InChIKey
BAJVTNDELBXKDE-UHFFFAOYSA-N
Compound name
furan-2-yl-(5-hydroxy-1-benzofuran-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

228.04225 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.049526 144.8
[M+Na]+ 251.031468 155.5
[M-H]- 227.034974 154.1
[M+NH4]+ 246.076073 164.2
[M+K]+ 267.005408 154.7
[M+H-H2O]+ 211.039510 140.4
[M+HCOO]- 273.040451 169.1
[M+CH3COO]- 287.056101 159.9
[M+Na-2H]- 249.016916 150.8
[M]+ 228.04170142 150.1
[M]- 228.04279858 150.1
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