CID 119461

33458-93-4

Structural Information

Molecular Formula
C17H14O5
SMILES
CC(C)OC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O
InChI
InChI=1S/C17H14O5/c1-9(2)21-11-4-5-12-15(8-11)22-14-6-3-10(17(19)20)7-13(14)16(12)18/h3-9H,1-2H3,(H,19,20)
InChIKey
AQFFXPQJLZFABJ-UHFFFAOYSA-N
Compound name
9-oxo-6-propan-2-yloxyxanthene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

186
References

57
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

literature stripe

Patent stripe

patents stripe