CID 5190265

1,1'-diphenyl-4,4'-bipyridinium dichloride

Structural Information

Molecular Formula
C22H18N2
SMILES
C1=CC=C(C=C1)[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H18N2/c1-3-7-21(8-4-1)23-15-11-19(12-16-23)20-13-17-24(18-14-20)22-9-5-2-6-10-22/h1-18H/q+2
InChIKey
FRAALLYKYQKVNX-UHFFFAOYSA-N
Compound name
1-phenyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
Patents

310.147 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15428 185.3
[M+Na]+ 333.13622 191.6
[M-H]- 309.13972 194.9
[M+NH4]+ 328.18082 194.9
[M+K]+ 349.11016 173.3
[M+H-H2O]+ 293.14426 178.0
[M+HCOO]- 355.14520 204.8
[M+CH3COO]- 369.16085 194.2
[M+Na-2H]- 331.12167 195.4
[M]+ 310.14645 180.7
[M]- 310.14755 180.7
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