CID 11658494

2-bromo-5-(methylthio)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

269
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

No literature data available for this compound.

Patent stripe

patents stripe