CID 5488650

Wairol

Structural Information

Molecular Formula
C17H12O6
SMILES
COC1=CC2=C(C(=C1)OC)C3=C(O2)C4=C(C=C(C=C4)O)OC3=O
InChI
InChI=1S/C17H12O6/c1-20-9-6-12(21-2)14-13(7-9)22-16-10-4-3-8(18)5-11(10)23-17(19)15(14)16/h3-7,18H,1-2H3
InChIKey
GYNHMEBOILXPQT-UHFFFAOYSA-N
Compound name
3-hydroxy-7,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

312.0634 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07068 164.9
[M+Na]+ 335.05262 182.6
[M+NH4]+ 330.09722 173.3
[M+K]+ 351.02656 178.0
[M-H]- 311.05612 170.6
[M+Na-2H]- 333.03807 169.9
[M]+ 312.06285 169.4
[M]- 312.06395 169.4
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