CID 5281295

Sulfuretin

Structural Information

Molecular Formula
C15H10O5
SMILES
C1=CC(=C(C=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O)O)O
InChI
InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
InChIKey
RGNXWPVNPFAADO-NSIKDUERSA-N
Compound name
(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

65
References

558
Patents

270.05283 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06011 157.9
[M+Na]+ 293.04205 171.0
[M+NH4]+ 288.08665 164.8
[M+K]+ 309.01599 167.8
[M-H]- 269.04555 161.2
[M+Na-2H]- 291.02750 162.1
[M]+ 270.05228 160.5
[M]- 270.05338 160.5
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