CID 52742

73927-68-1

Structural Information

Molecular Formula
C17H14O7
SMILES
CC1=C(C2=C(C(=C1O)C(=O)C)OC3=CC(=O)C(C(=O)C32)C(=O)C)O
InChI
InChI=1S/C17H14O7/c1-5-14(21)11(7(3)19)17-13(15(5)22)12-9(24-17)4-8(20)10(6(2)18)16(12)23/h4,10,12,21-22H,1-3H3
InChIKey
CSZVFBVSZPTWHP-UHFFFAOYSA-N
Compound name
2,6-diacetyl-7,9-dihydroxy-8-methyl-9bH-dibenzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.07394 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.081216 168.1
[M+Na]+ 353.063158 178.4
[M-H]- 329.066664 172.9
[M+NH4]+ 348.107763 184.0
[M+K]+ 369.037098 176.5
[M+H-H2O]+ 313.071200 164.0
[M+HCOO]- 375.072141 183.2
[M+CH3COO]- 389.087791 211.0
[M+Na-2H]- 351.048606 167.2
[M]+ 330.07339142 172.7
[M]- 330.07448858 172.7
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.