CID 473499

4,7-dinitro-9-oxoxanthene-2,5-dicarboxylic acid

Structural Information

Molecular Formula
C15H6N2O10
SMILES
C1=C(C=C(C2=C1C(=O)C3=C(O2)C(=CC(=C3)[N+](=O)[O-])C(=O)O)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C15H6N2O10/c18-11-7-1-5(14(19)20)2-10(17(25)26)13(7)27-12-8(11)3-6(16(23)24)4-9(12)15(21)22/h1-4H,(H,19,20)(H,21,22)
InChIKey
NPKIDWFNISNKPP-UHFFFAOYSA-N
Compound name
4,7-dinitro-9-oxoxanthene-2,5-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.00226 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.00954 172.2
[M+Na]+ 396.99148 178.5
[M-H]- 372.99498 176.6
[M+NH4]+ 392.03608 180.6
[M+K]+ 412.96542 169.8
[M+H-H2O]+ 356.99952 172.9
[M+HCOO]- 419.00046 191.5
[M+CH3COO]- 433.01611 202.4
[M+Na-2H]- 394.97693 182.4
[M]+ 374.00171 174.0
[M]- 374.00281 174.0
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.