CID 3331282

4-nitro-2,2'-bipyridine-n-oxide

Structural Information

Molecular Formula
C10H7N3O3
SMILES
C1=CC=NC(=C1)C2=[N+](C=CC(=C2)[N+](=O)[O-])[O-]
InChI
InChI=1S/C10H7N3O3/c14-12-6-4-8(13(15)16)7-10(12)9-3-1-2-5-11-9/h1-7H
InChIKey
TXORGAZSDCKPSN-UHFFFAOYSA-N
Compound name
4-nitro-1-oxido-2-pyridin-2-ylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

217.04874 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.056016 145.9
[M+Na]+ 240.037958 153.2
[M-H]- 216.041464 149.3
[M+NH4]+ 235.082563 159.1
[M+K]+ 256.011898 141.3
[M+H-H2O]+ 200.046000 146.5
[M+HCOO]- 262.046941 168.4
[M+CH3COO]- 276.062591 173.3
[M+Na-2H]- 238.023406 157.1
[M]+ 217.04819142 141.4
[M]- 217.04928858 141.4
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