CID 473490

7-nitro-9-oxoxanthene-2,5-dicarboxylic acid

Structural Information

Molecular Formula
C15H7NO8
SMILES
C1=CC2=C(C=C1C(=O)O)C(=O)C3=C(O2)C(=CC(=C3)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C15H7NO8/c17-12-8-3-6(14(18)19)1-2-11(8)24-13-9(12)4-7(16(22)23)5-10(13)15(20)21/h1-5H,(H,18,19)(H,20,21)
InChIKey
WIJPBSLNDLSHCS-UHFFFAOYSA-N
Compound name
7-nitro-9-oxoxanthene-2,5-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.01718 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.02446 162.9
[M+Na]+ 352.00640 171.8
[M-H]- 328.00990 167.7
[M+NH4]+ 347.05100 174.9
[M+K]+ 367.98034 166.3
[M+H-H2O]+ 312.01444 160.1
[M+HCOO]- 374.01538 182.6
[M+CH3COO]- 388.03103 199.5
[M+Na-2H]- 349.99185 171.6
[M]+ 329.01663 166.6
[M]- 329.01773 166.6
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.