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
6
Annotation Hits

63
References

5760
Patents

224.04735 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.054626 143.4
[M+Na]+ 247.036568 154.1
[M-H]- 223.040074 148.4
[M+NH4]+ 242.081173 163.5
[M+K]+ 263.010508 149.4
[M+H-H2O]+ 207.044610 137.4
[M+HCOO]- 269.045551 164.0
[M+CH3COO]- 283.061201 157.0
[M+Na-2H]- 245.022016 151.3
[M]+ 224.04680142 143.8
[M]- 224.04789858 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