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]+ 199.038976 134.8
[M+Na]+ 221.020918 147.2
[M-H]- 197.024424 142.4
[M+NH4]+ 216.065523 157.3
[M+K]+ 236.994858 144.6
[M+H-H2O]+ 181.028960 129.9
[M+HCOO]- 243.029901 159.1
[M+CH3COO]- 257.045551 150.6
[M+Na-2H]- 219.006366 143.9
[M]+ 198.03115142 138.9
[M]- 198.03224858 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.