CID 361512

Citreorosein

Structural Information

Molecular Formula
C15H10O6
SMILES
C1=C(C=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3)O)O)O)CO
InChI
InChI=1S/C15H10O6/c16-5-6-1-8-12(10(18)2-6)15(21)13-9(14(8)20)3-7(17)4-11(13)19/h1-4,16-19H,5H2
InChIKey
YQHZABGPIPECSQ-UHFFFAOYSA-N
Compound name
1,3,8-trihydroxy-6-(hydroxymethyl)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

107
Patents

286.04773 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05501 158.1
[M+Na]+ 309.03695 168.9
[M-H]- 285.04045 159.7
[M+NH4]+ 304.08155 173.9
[M+K]+ 325.01089 164.2
[M+H-H2O]+ 269.04499 152.6
[M+HCOO]- 331.04593 173.9
[M+CH3COO]- 345.06158 196.1
[M+Na-2H]- 307.02240 162.4
[M]+ 286.04718 159.2
[M]- 286.04828 159.2
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.