CID 62991580

5-bromo-2-(oxan-4-ylsulfanyl)pyridine

Structural Information

Molecular Formula
C10H12BrNOS
SMILES
C1COCCC1SC2=NC=C(C=C2)Br
InChI
InChI=1S/C10H12BrNOS/c11-8-1-2-10(12-7-8)14-9-3-5-13-6-4-9/h1-2,7,9H,3-6H2
InChIKey
RYXANAINAMQCCL-UHFFFAOYSA-N
Compound name
5-bromo-2-(oxan-4-ylsulfanyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.9823 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.98958 143.2
[M+Na]+ 295.97152 153.4
[M-H]- 271.97502 151.4
[M+NH4]+ 291.01612 161.3
[M+K]+ 311.94546 143.2
[M+H-H2O]+ 255.97956 143.0
[M+HCOO]- 317.98050 156.2
[M+CH3COO]- 331.99615 157.4
[M+Na-2H]- 293.95697 149.3
[M]+ 272.98175 160.8
[M]- 272.98285 160.8
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

No patent data available for this compound.