CID 6688

Quinizarin

Structural Information

Molecular Formula
C14H8O4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O
InChI
InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H
InChIKey
GUEIZVNYDFNHJU-UHFFFAOYSA-N
Compound name
1,4-dihydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

110
References

7967
Patents

240.04225 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04953 146.8
[M+Na]+ 263.03147 157.8
[M-H]- 239.03497 150.8
[M+NH4]+ 258.07607 165.7
[M+K]+ 279.00541 153.1
[M+H-H2O]+ 223.03951 141.0
[M+HCOO]- 285.04045 166.0
[M+CH3COO]- 299.05610 189.9
[M+Na-2H]- 261.01692 153.7
[M]+ 240.04170 147.3
[M]- 240.04280 147.3
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