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]+ 331.08122 168.1
[M+Na]+ 353.06316 178.4
[M-H]- 329.06666 172.9
[M+NH4]+ 348.10776 184.0
[M+K]+ 369.03710 176.5
[M+H-H2O]+ 313.07120 164.0
[M+HCOO]- 375.07214 183.2
[M+CH3COO]- 389.08779 211.0
[M+Na-2H]- 351.04861 167.2
[M]+ 330.07339 172.7
[M]- 330.07449 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.