CID 185310

Gamma-pyrufuran

Structural Information

Molecular Formula
C15H14O6
SMILES
COC1=C(C(=C(C2=C1C3=C(O2)C=C(C=C3)O)OC)OC)O
InChI
InChI=1S/C15H14O6/c1-18-12-10-8-5-4-7(16)6-9(8)21-13(10)15(20-3)14(19-2)11(12)17/h4-6,16-17H,1-3H3
InChIKey
KHGAPBYQBHBCBX-UHFFFAOYSA-N
Compound name
1,3,4-trimethoxydibenzofuran-2,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

290.07904 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08632 161.1
[M+Na]+ 313.06826 175.4
[M+NH4]+ 308.11286 168.5
[M+K]+ 329.04220 172.2
[M-H]- 289.07176 163.7
[M+Na-2H]- 311.05371 164.5
[M]+ 290.07849 163.9
[M]- 290.07959 163.9
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

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