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

1
Annotation Hits: 0
References: 26
Patents: 263.043 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	264.05028	151.2
[M+Na]+	286.03222	165.4
[M+NH4]+	281.07682	158.0
[M+K]+	302.00616	163.2
[M-H]-	262.03572	154.9
[M+Na-2H]-	284.01767	156.1
[M]+	263.04245	154.1
[M]-	263.04355	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe