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]+ 285.039346 155.3
[M+Na]+ 307.021288 166.2
[M-H]- 283.024794 160.3
[M+NH4]+ 302.065893 170.5
[M+K]+ 322.995228 164.0
[M+H-H2O]+ 267.029330 148.7
[M+HCOO]- 329.030271 174.5
[M+CH3COO]- 343.045921 197.1
[M+Na-2H]- 305.006736 162.7
[M]+ 284.03152142 160.2
[M]- 284.03261858 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.