CID 121631

30095-79-5

Structural Information

Molecular Formula
C12H9NO6
SMILES
CCOC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H9NO6/c1-2-18-12(15)11-6-9(14)8-5-7(13(16)17)3-4-10(8)19-11/h3-6H,2H2,1H3
InChIKey
RWGUGNHDBXRLSD-UHFFFAOYSA-N
Compound name
ethyl 6-nitro-4-oxochromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

263.043 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.050276 151.6
[M+Na]+ 286.032218 160.1
[M-H]- 262.035724 157.6
[M+NH4]+ 281.076823 167.1
[M+K]+ 302.006158 155.7
[M+H-H2O]+ 246.040260 149.4
[M+HCOO]- 308.041201 175.2
[M+CH3COO]- 322.056851 189.6
[M+Na-2H]- 284.017666 160.5
[M]+ 263.04245142 155.5
[M]- 263.04354858 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe