CID 11796

2-hydroxyanthraquinone

Structural Information

Molecular Formula
C14H8O3
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)O
InChI
InChI=1S/C14H8O3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7,15H
InChIKey
GCDBEYOJCZLKMC-UHFFFAOYSA-N
Compound name
2-hydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

911
Patents

224.04735 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.05463 143.4
[M+Na]+ 247.03657 154.1
[M-H]- 223.04007 148.4
[M+NH4]+ 242.08117 163.5
[M+K]+ 263.01051 149.4
[M+H-H2O]+ 207.04461 137.4
[M+HCOO]- 269.04555 164.0
[M+CH3COO]- 283.06120 157.0
[M+Na-2H]- 245.02202 151.3
[M]+ 224.04680 143.8
[M]- 224.04790 143.8
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