CID 38767

Xanoxic acid

Structural Information

Molecular Formula
C17H14O5
SMILES
CC(C)OC1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)C(=O)O
InChI
InChI=1S/C17H14O5/c1-9(2)21-11-4-6-15-13(8-11)16(18)12-7-10(17(19)20)3-5-14(12)22-15/h3-9H,1-2H3,(H,19,20)
InChIKey
NYKPKXPWOWUPJV-UHFFFAOYSA-N
Compound name
9-oxo-7-propan-2-yloxyxanthene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

298.08414 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09142 163.3
[M+Na]+ 321.07336 173.6
[M-H]- 297.07686 169.2
[M+NH4]+ 316.11796 178.8
[M+K]+ 337.04730 171.6
[M+H-H2O]+ 281.08140 156.1
[M+HCOO]- 343.08234 182.9
[M+CH3COO]- 357.09799 203.7
[M+Na-2H]- 319.05881 169.8
[M]+ 298.08359 169.8
[M]- 298.08469 169.8
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.