CID 137185900

Cyclovariegatin

Structural Information

Molecular Formula
C18H10O8
SMILES
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C2=O)OC4=CC(=C(C=C43)O)O)O)O)O
InChI
InChI=1S/C18H10O8/c19-8-2-1-6(3-9(8)20)13-15(23)16(24)14-7-4-10(21)11(22)5-12(7)26-18(14)17(13)25/h1-5,19-23H
InChIKey
YXRBIRYXOSYHBV-UHFFFAOYSA-N
Compound name
3-(3,4-dihydroxyphenyl)-2,7,8-trihydroxydibenzofuran-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

354.03757 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.04485 174.4
[M+Na]+ 377.02679 186.5
[M-H]- 353.03029 180.0
[M+NH4]+ 372.07139 187.2
[M+K]+ 393.00073 183.0
[M+H-H2O]+ 337.03483 168.7
[M+HCOO]- 399.03577 190.4
[M+CH3COO]- 413.05142 207.2
[M+Na-2H]- 375.01224 176.9
[M]+ 354.03702 178.9
[M]- 354.03812 178.9
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