CID 182228

2,6-di(2-thienyl)pyridine

Structural Information

Molecular Formula
C13H9NS2
SMILES
C1=CC(=NC(=C1)C2=CC=CS2)C3=CC=CS3
InChI
InChI=1S/C13H9NS2/c1-4-10(12-6-2-8-15-12)14-11(5-1)13-7-3-9-16-13/h1-9H
InChIKey
LCLYDMCIQMLZFX-UHFFFAOYSA-N
Compound name
2,6-dithiophen-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

80
Patents

243.01764 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.02492 150.6
[M+Na]+ 266.00686 163.5
[M-H]- 242.01036 161.1
[M+NH4]+ 261.05146 171.9
[M+K]+ 281.98080 158.1
[M+H-H2O]+ 226.01490 145.1
[M+HCOO]- 288.01584 168.9
[M+CH3COO]- 302.03149 165.3
[M+Na-2H]- 263.99231 151.0
[M]+ 243.01709 155.0
[M]- 243.01819 155.0
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