CID 5465786

Nsc661741

Structural Information

Molecular Formula
C15H12O6
SMILES
COC1=C(C2=C(C=C1)OC3=C(C2=O)C(=CC(=C3)O)OC)O
InChI
InChI=1S/C15H12O6/c1-19-9-4-3-8-13(14(9)17)15(18)12-10(20-2)5-7(16)6-11(12)21-8/h3-6,16-17H,1-2H3
InChIKey
LARCBAABNQDTGH-UHFFFAOYSA-N
Compound name
1,6-dihydroxy-2,8-dimethoxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.0634 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07068 158.4
[M+Na]+ 311.05262 171.1
[M-H]- 287.05612 163.9
[M+NH4]+ 306.09722 174.4
[M+K]+ 327.02656 169.2
[M+H-H2O]+ 271.06066 151.6
[M+HCOO]- 333.06160 179.1
[M+CH3COO]- 347.07725 199.2
[M+Na-2H]- 309.03807 166.6
[M]+ 288.06285 166.7
[M]- 288.06395 166.7
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.