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]+ 233.04445 142.0
[M+Na]+ 255.02639 155.3
[M-H]- 231.02989 149.6
[M+NH4]+ 250.07099 161.4
[M+K]+ 271.00033 154.6
[M+H-H2O]+ 215.03443 137.2
[M+HCOO]- 277.03537 165.3
[M+CH3COO]- 291.05102 157.7
[M+Na-2H]- 253.01184 151.8
[M]+ 232.03662 150.4
[M]- 232.03772 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.