CID 92043985

104700-21-2

Structural Information

Molecular Formula
C17H12O7
SMILES
COC1=C2C3=C(C(=O)C(C3)O)C(=O)OC2=C4C5C=COC5OC4=C1
InChI
InChI=1S/C17H12O7/c1-21-9-5-10-11(6-2-3-22-17(6)23-10)15-12(9)7-4-8(18)14(19)13(7)16(20)24-15/h2-3,5-6,8,17-18H,4H2,1H3
InChIKey
JUJRETIUKMEFIA-UHFFFAOYSA-N
Compound name
15-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0583 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.06558 165.6
[M+Na]+ 351.04752 177.9
[M-H]- 327.05102 175.6
[M+NH4]+ 346.09212 185.0
[M+K]+ 367.02146 177.4
[M+H-H2O]+ 311.05556 164.8
[M+HCOO]- 373.05650 182.9
[M+CH3COO]- 387.07215 179.6
[M+Na-2H]- 349.03297 168.5
[M]+ 328.05775 174.6
[M]- 328.05885 174.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.