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

84
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.