CID 108104

Sphondin

Structural Information

Molecular Formula
C12H8O4
SMILES
COC1=C2C(=C3C(=C1)C=CC(=O)O3)C=CO2
InChI
InChI=1S/C12H8O4/c1-14-9-6-7-2-3-10(13)16-11(7)8-4-5-15-12(8)9/h2-6H,1H3
InChIKey
DLCJNIBLOSKIQW-UHFFFAOYSA-N
Compound name
6-methoxyfuro[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

20
References

94
Patents

216.04225 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04953 139.0
[M+Na]+ 239.03147 155.4
[M+NH4]+ 234.07607 148.4
[M+K]+ 255.00541 150.9
[M-H]- 215.03497 144.6
[M+Na-2H]- 237.01692 145.5
[M]+ 216.04170 143.2
[M]- 216.04280 143.2
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