CID 119396

Rheinanthrone

Structural Information

Molecular Formula
C15H10O5
SMILES
C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=C(C=C3O)C(=O)O
InChI
InChI=1S/C15H10O5/c16-10-3-1-2-7-4-8-5-9(15(19)20)6-11(17)13(8)14(18)12(7)10/h1-3,5-6,16-17H,4H2,(H,19,20)
InChIKey
OZFQHULMMDWMIV-UHFFFAOYSA-N
Compound name
4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

26
References

69
Patents

270.05283 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06011 154.7
[M+Na]+ 293.04205 164.1
[M-H]- 269.04555 157.0
[M+NH4]+ 288.08665 171.4
[M+K]+ 309.01599 159.8
[M+H-H2O]+ 253.05009 148.9
[M+HCOO]- 315.05103 171.0
[M+CH3COO]- 329.06668 194.0
[M+Na-2H]- 291.02750 159.4
[M]+ 270.05228 154.6
[M]- 270.05338 154.6
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