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

112
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

literature stripe

Patent stripe

patents stripe