CID 11505853

38210-35-4

Structural Information

Molecular Formula
C13H9NS
SMILES
C1=CC=C2C(=C1)C=C(S2)C3=CC=CC=N3
InChI
InChI=1S/C13H9NS/c1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11/h1-9H
InChIKey
NRSBAUDUBWMTGL-UHFFFAOYSA-N
Compound name
2-(1-benzothiophen-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1963
Patents

211.04558 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.052856 142.0
[M+Na]+ 234.034798 153.7
[M-H]- 210.038304 149.6
[M+NH4]+ 229.079403 163.3
[M+K]+ 250.008738 148.5
[M+H-H2O]+ 194.042840 135.6
[M+HCOO]- 256.043781 162.9
[M+CH3COO]- 270.059431 156.7
[M+Na-2H]- 232.020246 148.3
[M]+ 211.04503142 145.4
[M]- 211.04612858 145.4
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