CID 12305318

8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene-3,5,13,17-tetrol

Structural Information

Molecular Formula
C15H12O6
SMILES
C1=CC2=C(C=C1O)OC3C(C2OC4=CC(=CC(=C34)O)O)O
InChI
InChI=1S/C15H12O6/c16-6-1-2-8-10(4-6)20-15-12-9(18)3-7(17)5-11(12)21-14(8)13(15)19/h1-5,13-19H
InChIKey
WOXYXFWUFXHROX-UHFFFAOYSA-N
Compound name
8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene-3,5,13,17-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.0634 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07068 158.3
[M+Na]+ 311.05262 167.6
[M-H]- 287.05612 160.2
[M+NH4]+ 306.09722 172.7
[M+K]+ 327.02656 165.7
[M+H-H2O]+ 271.06066 152.1
[M+HCOO]- 333.06160 168.5
[M+CH3COO]- 347.07725 169.0
[M+Na-2H]- 309.03807 166.7
[M]+ 288.06285 159.7
[M]- 288.06395 159.7
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.