CID 323140

Nsc281973

Structural Information

Molecular Formula
C16H8O4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)OC4=CC=CC=C4O3
InChI
InChI=1S/C16H8O4/c17-13-9-5-1-2-6-10(9)14(18)16-15(13)19-11-7-3-4-8-12(11)20-16/h1-8H
InChIKey
LCEQMUPOBPPCOJ-UHFFFAOYSA-N
Compound name
benzo[b]oxanthrene-6,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

264.04227 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04955 151.3
[M+Na]+ 287.03149 166.0
[M-H]- 263.03499 161.1
[M+NH4]+ 282.07609 168.9
[M+K]+ 303.00543 163.6
[M+H-H2O]+ 247.03953 143.5
[M+HCOO]- 309.04047 174.7
[M+CH3COO]- 323.05612 166.7
[M+Na-2H]- 285.01694 165.2
[M]+ 264.04172 159.6
[M]- 264.04282 159.6
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