CID 135659042

1259330-61-4

Structural Information

Molecular Formula
C15H8O5
SMILES
C1=CC2=C(C=C1O)C3=COC(=C4C3=C(O2)C=CC4=O)O
InChI
InChI=1S/C15H8O5/c16-7-1-3-11-8(5-7)9-6-19-15(18)14-10(17)2-4-12(20-11)13(9)14/h1-6,16,18H
InChIKey
KUPDHLFGNQEASI-UHFFFAOYSA-N
Compound name
4,14-dihydroxy-8,15-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,13-heptaen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

28
References

19
Patents

268.03717 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.044446 152.8
[M+Na]+ 291.026388 166.3
[M-H]- 267.029894 159.5
[M+NH4]+ 286.070993 169.3
[M+K]+ 307.000328 164.2
[M+H-H2O]+ 251.034430 145.7
[M+HCOO]- 313.035371 172.2
[M+CH3COO]- 327.051021 166.9
[M+Na-2H]- 289.011836 165.4
[M]+ 268.03662142 160.5
[M]- 268.03771858 160.5
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