CID 248840

13373-28-9

Structural Information

Molecular Formula
C12H9NO6
SMILES
CCOC(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O
InChI
InChI=1S/C12H9NO6/c1-2-18-11(14)9-6-7-5-8(13(16)17)3-4-10(7)19-12(9)15/h3-6H,2H2,1H3
InChIKey
OGWYDXOVZXOHSD-UHFFFAOYSA-N
Compound name
ethyl 6-nitro-2-oxochromene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

11
Patents

263.043 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.05028 151.6
[M+Na]+ 286.03222 160.1
[M-H]- 262.03572 157.6
[M+NH4]+ 281.07682 167.1
[M+K]+ 302.00616 155.7
[M+H-H2O]+ 246.04026 149.4
[M+HCOO]- 308.04120 175.2
[M+CH3COO]- 322.05685 189.6
[M+Na-2H]- 284.01767 160.5
[M]+ 263.04245 155.5
[M]- 263.04355 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

literature stripe

Patent stripe

patents stripe