CID 458225

32114-46-8

Structural Information

Molecular Formula
C16H10O4
SMILES
COC(=O)C1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H10O4/c1-20-16(19)12-8-4-7-11-13(12)15(18)10-6-3-2-5-9(10)14(11)17/h2-8H,1H3
InChIKey
GWOXNNQRAJIJRH-UHFFFAOYSA-N
Compound name
methyl 9,10-dioxoanthracene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

266.05792 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06520 154.3
[M+Na]+ 289.04714 164.3
[M-H]- 265.05064 160.3
[M+NH4]+ 284.09174 173.1
[M+K]+ 305.02108 160.7
[M+H-H2O]+ 249.05518 147.4
[M+HCOO]- 311.05612 174.9
[M+CH3COO]- 325.07177 198.8
[M+Na-2H]- 287.03259 160.4
[M]+ 266.05737 157.2
[M]- 266.05847 157.2
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

patents stripe