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]+ 271.06011 154.8
[M+Na]+ 293.04205 167.3
[M-H]- 269.04555 166.3
[M+NH4]+ 288.08665 168.5
[M+K]+ 309.01599 165.6
[M+H-H2O]+ 253.05009 149.7
[M+HCOO]- 315.05103 173.8
[M+CH3COO]- 329.06668 168.4
[M+Na-2H]- 291.02750 161.3
[M]+ 270.05228 160.3
[M]- 270.05338 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.