CID 473504

Dimethyl 7-nitro-9-oxo-xanthene-2,5-dicarboxylate

Structural Information

Molecular Formula
C17H11NO8
SMILES
COC(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3C(=O)OC)[N+](=O)[O-]
InChI
InChI=1S/C17H11NO8/c1-24-16(20)8-3-4-13-10(5-8)14(19)11-6-9(18(22)23)7-12(15(11)26-13)17(21)25-2/h3-7H,1-2H3
InChIKey
QMWBHNNWIHKEJE-UHFFFAOYSA-N
Compound name
dimethyl 7-nitro-9-oxoxanthene-2,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.04846 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.05574 173.6
[M+Na]+ 380.03768 182.7
[M-H]- 356.04118 180.9
[M+NH4]+ 375.08228 186.0
[M+K]+ 396.01162 178.4
[M+H-H2O]+ 340.04572 169.9
[M+HCOO]- 402.04666 195.6
[M+CH3COO]- 416.06231 208.7
[M+Na-2H]- 378.02313 182.0
[M]+ 357.04791 181.2
[M]- 357.04901 181.2
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.