CID 4589998

2,6-dimethoxyanthracene-9,10-dione

Structural Information

Molecular Formula
C16H12O4
SMILES
COC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)OC
InChI
InChI=1S/C16H12O4/c1-19-9-3-5-11-13(7-9)15(17)12-6-4-10(20-2)8-14(12)16(11)18/h3-8H,1-2H3
InChIKey
VZXGMACDZPAQOP-UHFFFAOYSA-N
Compound name
2,6-dimethoxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

119
Patents

268.07355 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 155.4
[M+Na]+ 291.06277 166.3
[M-H]- 267.06627 161.7
[M+NH4]+ 286.10737 174.5
[M+K]+ 307.03671 162.8
[M+H-H2O]+ 251.07081 148.5
[M+HCOO]- 313.07175 176.9
[M+CH3COO]- 327.08740 200.6
[M+Na-2H]- 289.04822 162.0
[M]+ 268.07300 160.1
[M]- 268.07410 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.