CID 135403797

2,3,4,6-tetrahydroxy-5h-benzo[7]annulen-5-one

Structural Information

Molecular Formula
C11H8O5
SMILES
C1=CC2=CC(=C(C(=C2C(=O)C(=C1)O)O)O)O
InChI
InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)
InChIKey
WDGFFVCWBZVLCE-UHFFFAOYSA-N
Compound name
2,3,4,6-tetrahydroxybenzo[7]annulen-5-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

97
References

4047
Patents

220.03717 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.044446 139.4
[M+Na]+ 243.026388 149.1
[M-H]- 219.029894 142.1
[M+NH4]+ 238.070993 156.1
[M+K]+ 259.000328 151.0
[M+H-H2O]+ 203.034430 136.1
[M+HCOO]- 265.035371 159.2
[M+CH3COO]- 279.051021 182.4
[M+Na-2H]- 241.011836 145.2
[M]+ 220.03662142 138.4
[M]- 220.03771858 138.4
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