CID 11519563

4,4'-dinitro-2,2'-bipyridine

Structural Information

Molecular Formula
C10H6N4O4
SMILES
C1=CN=C(C=C1[N+](=O)[O-])C2=NC=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H6N4O4/c15-13(16)7-1-3-11-9(5-7)10-6-8(14(17)18)2-4-12-10/h1-6H
InChIKey
ULRVNIRBWWMQJT-UHFFFAOYSA-N
Compound name
4-nitro-2-(4-nitropyridin-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

246.03891 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.04619 149.9
[M+Na]+ 269.02813 156.2
[M-H]- 245.03163 154.5
[M+NH4]+ 264.07273 161.8
[M+K]+ 285.00207 145.4
[M+H-H2O]+ 229.03617 149.7
[M+HCOO]- 291.03711 174.1
[M+CH3COO]- 305.05276 182.0
[M+Na-2H]- 267.01358 161.3
[M]+ 246.03836 146.2
[M]- 246.03946 146.2
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

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