CID 147719

5-hydroxy-2-(1-hydroxyethyl)naphtho[2,3-b]furan-4,9-dione

Structural Information

Molecular Formula
C14H10O5
SMILES
CC(C1=CC2=C(O1)C(=O)C3=C(C2=O)C(=CC=C3)O)O
InChI
InChI=1S/C14H10O5/c1-6(15)10-5-8-12(17)11-7(3-2-4-9(11)16)13(18)14(8)19-10/h2-6,15-16H,1H3
InChIKey
XJGFVZBTNKODFQ-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(1-hydroxyethyl)benzo[f][1]benzofuran-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

32
Patents

258.05283 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06011 152.0
[M+Na]+ 281.04205 162.5
[M-H]- 257.04555 156.7
[M+NH4]+ 276.08665 170.7
[M+K]+ 297.01599 159.9
[M+H-H2O]+ 241.05009 147.5
[M+HCOO]- 303.05103 170.2
[M+CH3COO]- 317.06668 193.0
[M+Na-2H]- 279.02750 156.0
[M]+ 258.05228 154.9
[M]- 258.05338 154.9
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