CID 3047739

Fraxinol

Structural Information

Molecular Formula
C11H10O5
SMILES
COC1=C(C(=C2C=CC(=O)OC2=C1)OC)O
InChI
InChI=1S/C11H10O5/c1-14-8-5-7-6(3-4-9(12)16-7)11(15-2)10(8)13/h3-5,13H,1-2H3
InChIKey
PBPNOAHYDPHKFH-UHFFFAOYSA-N
Compound name
6-hydroxy-5,7-dimethoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

72
Patents

222.05283 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.060106 141.1
[M+Na]+ 245.042048 152.4
[M-H]- 221.045554 146.4
[M+NH4]+ 240.086653 159.3
[M+K]+ 261.015988 151.7
[M+H-H2O]+ 205.050090 135.2
[M+HCOO]- 267.051031 163.7
[M+CH3COO]- 281.066681 186.8
[M+Na-2H]- 243.027496 149.4
[M]+ 222.05228142 147.5
[M]- 222.05337858 147.5
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