CID 473502

Methyl 7-nitro-9-oxoxanthene-2-carboxylate

Structural Information

Molecular Formula
C15H9NO6
SMILES
COC(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H9NO6/c1-21-15(18)8-2-4-12-10(6-8)14(17)11-7-9(16(19)20)3-5-13(11)22-12/h2-7H,1H3
InChIKey
IFESQWSMWRMHIW-UHFFFAOYSA-N
Compound name
methyl 7-nitro-9-oxoxanthene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.043 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.05028 160.0
[M+Na]+ 322.03222 169.9
[M-H]- 298.03572 167.3
[M+NH4]+ 317.07682 175.0
[M+K]+ 338.00616 164.4
[M+H-H2O]+ 282.04026 156.9
[M+HCOO]- 344.04120 183.5
[M+CH3COO]- 358.05685 197.7
[M+Na-2H]- 320.01767 170.6
[M]+ 299.04245 165.3
[M]- 299.04355 165.3
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.