CID 8512

1-hydroxyanthraquinone

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

63
References

4047
Patents

224.04735 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.05463 145.0
[M+Na]+ 247.03657 160.8
[M+NH4]+ 242.08117 154.5
[M+K]+ 263.01051 153.1
[M-H]- 223.04007 148.3
[M+Na-2H]- 245.02202 151.7
[M]+ 224.04680 148.3
[M]- 224.04790 148.3
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