CID 192833

Diphenylene dioxide 2,3-quinone

Structural Information

Molecular Formula
C12H6O4
SMILES
C1=CC=C2C(=C1)OC3=CC(=O)C(=O)C=C3O2
InChI
InChI=1S/C12H6O4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H
InChIKey
OEZWQQMRIGCJRU-UHFFFAOYSA-N
Compound name
dibenzo-p-dioxin-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

214.02661 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.03389 137.0
[M+Na]+ 237.01583 149.5
[M-H]- 213.01933 145.3
[M+NH4]+ 232.06043 155.6
[M+K]+ 252.98977 148.6
[M+H-H2O]+ 197.02387 130.6
[M+HCOO]- 259.02481 159.7
[M+CH3COO]- 273.04046 152.5
[M+Na-2H]- 235.00128 149.5
[M]+ 214.02606 142.4
[M]- 214.02716 142.4
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