CID 3813610

3-(phenylsulfanyl)pyridine

Structural Information

Molecular Formula
C11H9NS
SMILES
C1=CC=C(C=C1)SC2=CN=CC=C2
InChI
InChI=1S/C11H9NS/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11/h1-9H
InChIKey
ONBQLBVFTYYJJR-UHFFFAOYSA-N
Compound name
3-phenylsulfanylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

75
Patents

187.04558 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05286 136.1
[M+Na]+ 210.03480 144.9
[M-H]- 186.03830 141.8
[M+NH4]+ 205.07940 155.0
[M+K]+ 226.00874 140.5
[M+H-H2O]+ 170.04284 128.9
[M+HCOO]- 232.04378 155.3
[M+CH3COO]- 246.05943 149.6
[M+Na-2H]- 208.02025 142.7
[M]+ 187.04503 136.9
[M]- 187.04613 136.9
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