CID 159238

Beta-pyrufuran

Structural Information

Molecular Formula
C15H14O5
SMILES
COC1=C(C(=C(C2=C1C3=CC=CC=C3O2)OC)O)OC
InChI
InChI=1S/C15H14O5/c1-17-12-10-8-6-4-5-7-9(8)20-13(10)15(19-3)11(16)14(12)18-2/h4-7,16H,1-3H3
InChIKey
XLCIGBDZQKRLPH-UHFFFAOYSA-N
Compound name
1,2,4-trimethoxydibenzofuran-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

274.08414 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.091416 156.9
[M+Na]+ 297.073358 169.2
[M-H]- 273.076864 163.6
[M+NH4]+ 292.117963 176.2
[M+K]+ 313.047298 167.6
[M+H-H2O]+ 257.081400 151.4
[M+HCOO]- 319.082341 179.8
[M+CH3COO]- 333.097991 198.1
[M+Na-2H]- 295.058806 163.7
[M]+ 274.08359142 166.7
[M]- 274.08468858 166.7
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