CID 4171663

2,2'-bipyridine-4,4'-dicarboxaldehyde

Structural Information

Molecular Formula
C12H8N2O2
SMILES
C1=CN=C(C=C1C=O)C2=NC=CC(=C2)C=O
InChI
InChI=1S/C12H8N2O2/c15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14-12/h1-8H
InChIKey
UJCACAOPZBJKIW-UHFFFAOYSA-N
Compound name
2-(4-formylpyridin-2-yl)pyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

212.05858 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06586 143.9
[M+Na]+ 235.04780 153.8
[M-H]- 211.05130 148.4
[M+NH4]+ 230.09240 159.8
[M+K]+ 251.02174 149.8
[M+H-H2O]+ 195.05584 135.2
[M+HCOO]- 257.05678 167.1
[M+CH3COO]- 271.07243 186.1
[M+Na-2H]- 233.03325 151.8
[M]+ 212.05803 145.5
[M]- 212.05913 145.5
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