CID 122597

Nf-4,5-dione

Structural Information

Molecular Formula
C12H6O3
SMILES
C1=CC2=C(C3=C1C=CC(=O)C3=O)OC=C2
InChI
InChI=1S/C12H6O3/c13-9-4-3-7-1-2-8-5-6-15-12(8)10(7)11(9)14/h1-6H
InChIKey
YXSJXRFEZBTTIF-UHFFFAOYSA-N
Compound name
benzo[g][1]benzofuran-8,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

198.0317 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.03898 134.8
[M+Na]+ 221.02092 147.2
[M-H]- 197.02442 142.4
[M+NH4]+ 216.06552 157.3
[M+K]+ 236.99486 144.6
[M+H-H2O]+ 181.02896 129.9
[M+HCOO]- 243.02990 159.1
[M+CH3COO]- 257.04555 150.6
[M+Na-2H]- 219.00637 143.9
[M]+ 198.03115 138.9
[M]- 198.03225 138.9
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

No patent data available for this compound.