CID 18822

3390-70-3

Structural Information

Molecular Formula
C14H8N2O4
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C=C(C(=O)O2)C3=CC=NC=C3
InChI
InChI=1S/C14H8N2O4/c17-14-12(9-3-5-15-6-4-9)8-10-7-11(16(18)19)1-2-13(10)20-14/h1-8H
InChIKey
LJYXKUOCGUAQEH-UHFFFAOYSA-N
Compound name
6-nitro-3-pyridin-4-ylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0484 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.05568 154.0
[M+Na]+ 291.03762 171.7
[M+NH4]+ 286.08222 162.4
[M+K]+ 307.01156 167.0
[M-H]- 267.04112 161.2
[M+Na-2H]- 289.02307 163.4
[M]+ 268.04785 158.7
[M]- 268.04895 158.7
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

No patent data available for this compound.