CID 45479589

Phenoxy radical vii

Structural Information

Molecular Formula
C15H10O5
SMILES
C1=CC2=C(C=C1O)OC(C2=O)C3C4(O3)C=CC(=O)C=C4
InChI
InChI=1S/C15H10O5/c16-8-3-5-15(6-4-8)14(20-15)13-12(18)10-2-1-9(17)7-11(10)19-13/h1-7,13-14,17H
InChIKey
TYTGARXNZIJWFO-UHFFFAOYSA-N
Compound name
6-hydroxy-2-(6-oxo-1-oxaspiro[2.5]octa-4,7-dien-2-yl)-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

270.05283 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.060106 154.8
[M+Na]+ 293.042048 167.3
[M-H]- 269.045554 166.3
[M+NH4]+ 288.086653 168.5
[M+K]+ 309.015988 165.6
[M+H-H2O]+ 253.050090 149.7
[M+HCOO]- 315.051031 173.8
[M+CH3COO]- 329.066681 168.4
[M+Na-2H]- 291.027496 161.3
[M]+ 270.05228142 160.3
[M]- 270.05337858 160.3
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

No patent data available for this compound.