CID 410100

9-oxo-9h-xanthene-4-carboxylic acid

Structural Information

Molecular Formula
C14H8O4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(O2)C(=CC=C3)C(=O)O
InChI
InChI=1S/C14H8O4/c15-12-8-4-1-2-7-11(8)18-13-9(12)5-3-6-10(13)14(16)17/h1-7H,(H,16,17)
InChIKey
OCRPZVVAUXUZID-UHFFFAOYSA-N
Compound name
9-oxoxanthene-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

20
Patents

240.04225 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04953 145.8
[M+Na]+ 263.03147 157.3
[M-H]- 239.03497 152.0
[M+NH4]+ 258.07607 163.7
[M+K]+ 279.00541 154.5
[M+H-H2O]+ 223.03951 139.3
[M+HCOO]- 285.04045 167.5
[M+CH3COO]- 299.05610 159.9
[M+Na-2H]- 261.01692 155.8
[M]+ 240.04170 150.1
[M]- 240.04280 150.1
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.