CID 178244324

Bis(1-oxidopyridin-1-ium-2-yl)methanone

Structural Information

Molecular Formula
C11H8N2O3
SMILES
C1=CC=[N+](C(=C1)C(=O)C2=CC=CC=[N+]2[O-])[O-]
InChI
InChI=1S/C11H8N2O3/c14-11(9-5-1-3-7-12(9)15)10-6-2-4-8-13(10)16/h1-8H
InChIKey
XBBZXVRCEIJOPA-UHFFFAOYSA-N
Compound name
bis(1-oxidopyridin-1-ium-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.0535 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.060776 148.1
[M+Na]+ 239.042718 155.5
[M-H]- 215.046224 150.1
[M+NH4]+ 234.087323 161.1
[M+K]+ 255.016658 142.8
[M+H-H2O]+ 199.050760 149.2
[M+HCOO]- 261.051701 167.9
[M+CH3COO]- 275.067351 169.2
[M+Na-2H]- 237.028166 157.7
[M]+ 216.05295142 143.0
[M]- 216.05404858 143.0
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.