CID 490068

(2e)-4,6-dihydroxy-2-[hydroxy(phenyl)methylene]benzofuran-3-one

Structural Information

Molecular Formula
C15H10O5
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C3=C(C=C(C=C3O2)O)O)O
InChI
InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(12)19)13(18)8-4-2-1-3-5-8/h1-7,16-17,19H
InChIKey
NTMFWVMUHZMJOM-UHFFFAOYSA-N
Compound name
phenyl-(3,4,6-trihydroxy-1-benzofuran-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.05283 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06011 155.6
[M+Na]+ 293.04205 166.0
[M-H]- 269.04555 161.8
[M+NH4]+ 288.08665 171.8
[M+K]+ 309.01599 162.8
[M+H-H2O]+ 253.05009 149.9
[M+HCOO]- 315.05103 176.4
[M+CH3COO]- 329.06668 190.7
[M+Na-2H]- 291.02750 160.3
[M]+ 270.05228 158.8
[M]- 270.05338 158.8
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.