CID 6293

Alizarin

Structural Information

Molecular Formula
C14H8O4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O
InChI
InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H
InChIKey
RGCKGOZRHPZPFP-UHFFFAOYSA-N
Compound name
1,2-dihydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2112
References

80063
Patents

240.04225 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04953 148.5
[M+Na]+ 263.03147 163.6
[M+NH4]+ 258.07607 157.1
[M+K]+ 279.00541 156.9
[M-H]- 239.03497 150.9
[M+Na-2H]- 261.01692 153.9
[M]+ 240.04170 151.3
[M]- 240.04280 151.3
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