CID 16051915

Lll3

Structural Information

Molecular Formula
C16H10O4
SMILES
CC(=O)C1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)O
InChI
InChI=1S/C16H10O4/c1-8(17)9-4-2-5-10-13(9)15(19)11-6-3-7-12(18)14(11)16(10)20/h2-7,18H,1H3
InChIKey
RROLKYCVTJGMND-UHFFFAOYSA-N
Compound name
1-acetyl-5-hydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

24
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 154.1
[M+Na]+ 289.04714 164.5
[M-H]- 265.05064 159.1
[M+NH4]+ 284.09174 172.4
[M+K]+ 305.02108 160.2
[M+H-H2O]+ 249.05518 147.9
[M+HCOO]- 311.05612 173.2
[M+CH3COO]- 325.07177 198.4
[M+Na-2H]- 287.03259 159.2
[M]+ 266.05737 155.7
[M]- 266.05847 155.7
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