CID 11424251

5-bromo-2-(methylthio)pyridine

Structural Information

Molecular Formula
C6H6BrNS
SMILES
CSC1=NC=C(C=C1)Br
InChI
InChI=1S/C6H6BrNS/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3
InChIKey
CFBYLVDSPYTKPR-UHFFFAOYSA-N
Compound name
5-bromo-2-methylsulfanylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

339
Patents

202.94043 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.947706 122.0
[M+Na]+ 225.929648 135.7
[M-H]- 201.933154 128.1
[M+NH4]+ 220.974253 144.7
[M+K]+ 241.903588 124.5
[M+H-H2O]+ 185.937690 122.9
[M+HCOO]- 247.938631 139.3
[M+CH3COO]- 261.954281 180.7
[M+Na-2H]- 223.915096 129.9
[M]+ 202.93988142 142.7
[M]- 202.94097858 142.7
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