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 155.2
[M+Na]+ 291.03762 164.1
[M-H]- 267.04112 162.9
[M+NH4]+ 286.08222 168.8
[M+K]+ 307.01156 157.3
[M+H-H2O]+ 251.04566 150.8
[M+HCOO]- 313.04660 178.5
[M+CH3COO]- 327.06225 191.0
[M+Na-2H]- 289.02307 166.3
[M]+ 268.04785 156.1
[M]- 268.04895 156.1
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