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

193
Patents

298.08414 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.091416 163.3
[M+Na]+ 321.073358 173.6
[M-H]- 297.076864 169.2
[M+NH4]+ 316.117963 178.8
[M+K]+ 337.047298 171.6
[M+H-H2O]+ 281.081400 156.1
[M+HCOO]- 343.082341 182.9
[M+CH3COO]- 357.097991 203.7
[M+Na-2H]- 319.058806 169.8
[M]+ 298.08359142 169.8
[M]- 298.08468858 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.