CID 85748760

4-hydroxy-8-methoxy-2h-furo[2,3-h]-1-benzopyran-2-one

Structural Information

Molecular Formula
C12H8O5
SMILES
COC1=CC2=C(O1)C=CC3=C2OC(=O)C=C3O
InChI
InChI=1S/C12H8O5/c1-15-11-4-7-9(16-11)3-2-6-8(13)5-10(14)17-12(6)7/h2-5,13H,1H3
InChIKey
CJAULYJMFDTPBE-UHFFFAOYSA-N
Compound name
4-hydroxy-8-methoxyfuro[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.03717 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.044446 142.0
[M+Na]+ 255.026388 155.3
[M-H]- 231.029894 149.6
[M+NH4]+ 250.070993 161.4
[M+K]+ 271.000328 154.6
[M+H-H2O]+ 215.034430 137.2
[M+HCOO]- 277.035371 165.3
[M+CH3COO]- 291.051021 157.7
[M+Na-2H]- 253.011836 151.8
[M]+ 232.03662142 150.4
[M]- 232.03771858 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.