CID 470400

9-oxoxanthene-3,4-dicarboxylic acid

Structural Information

Molecular Formula
C15H8O6
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(O2)C(=C(C=C3)C(=O)O)C(=O)O
InChI
InChI=1S/C15H8O6/c16-12-7-3-1-2-4-10(7)21-13-9(12)6-5-8(14(17)18)11(13)15(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKey
BZRQNPMCBCPXOQ-UHFFFAOYSA-N
Compound name
9-oxoxanthene-3,4-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

284.03207 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.03935 155.3
[M+Na]+ 307.02129 166.2
[M-H]- 283.02479 160.3
[M+NH4]+ 302.06589 170.5
[M+K]+ 322.99523 164.0
[M+H-H2O]+ 267.02933 148.7
[M+HCOO]- 329.03027 174.5
[M+CH3COO]- 343.04592 197.1
[M+Na-2H]- 305.00674 162.7
[M]+ 284.03152 160.2
[M]- 284.03262 160.2
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

No patent data available for this compound.