CID 5316653

Dichotomitin

Structural Information

Molecular Formula
C18H14O8
SMILES
COC1=CC(=CC(=C1OC)O)C2=COC3=CC4=C(C(=C3C2=O)O)OCO4
InChI
InChI=1S/C18H14O8/c1-22-12-4-8(3-10(19)17(12)23-2)9-6-24-11-5-13-18(26-7-25-13)16(21)14(11)15(9)20/h3-6,19,21H,7H2,1-2H3
InChIKey
PFFOGGCBLWTCPM-UHFFFAOYSA-N
Compound name
9-hydroxy-7-(3-hydroxy-4,5-dimethoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

358.06888 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07616 177.0
[M+Na]+ 381.05810 188.2
[M-H]- 357.06160 186.8
[M+NH4]+ 376.10270 188.7
[M+K]+ 397.03204 188.9
[M+H-H2O]+ 341.06614 170.6
[M+HCOO]- 403.06708 194.2
[M+CH3COO]- 417.08273 189.5
[M+Na-2H]- 379.04355 182.1
[M]+ 358.06833 186.3
[M]- 358.06943 186.3
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

patents stripe