CID 5376215

14348-23-3

Structural Information

Molecular Formula
C11H6O5
SMILES
C1=CC(=O)OC2=C(C3=C(C=CO3)C(=C21)O)O
InChI
InChI=1S/C11H6O5/c12-7-2-1-5-8(13)6-3-4-15-10(6)9(14)11(5)16-7/h1-4,13-14H
InChIKey
DZEPISXWRUMGFN-UHFFFAOYSA-N
Compound name
4,9-dihydroxyfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

218.02153 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.028806 137.6
[M+Na]+ 241.010748 150.9
[M-H]- 217.014254 143.9
[M+NH4]+ 236.055353 156.8
[M+K]+ 256.984688 149.5
[M+H-H2O]+ 201.018790 133.2
[M+HCOO]- 263.019731 159.7
[M+CH3COO]- 277.035381 153.0
[M+Na-2H]- 238.996196 147.5
[M]+ 218.02098142 143.9
[M]- 218.02207858 143.9
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

patents stripe