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

127
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

literature stripe

Patent stripe

patents stripe