CID 58200491

5-bromo-4-methyl-2-(methylthio)pyridine

Structural Information

Molecular Formula
C7H8BrNS
SMILES
CC1=CC(=NC=C1Br)SC
InChI
InChI=1S/C7H8BrNS/c1-5-3-7(10-2)9-4-6(5)8/h3-4H,1-2H3
InChIKey
XFNACZYKCKSTOP-UHFFFAOYSA-N
Compound name
5-bromo-4-methyl-2-methylsulfanylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

216.95609 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.963366 126.0
[M+Na]+ 239.945308 140.0
[M-H]- 215.948814 132.1
[M+NH4]+ 234.989913 148.4
[M+K]+ 255.919248 128.5
[M+H-H2O]+ 199.953350 126.7
[M+HCOO]- 261.954291 142.8
[M+CH3COO]- 275.969941 184.5
[M+Na-2H]- 237.930756 132.7
[M]+ 216.95554142 147.3
[M]- 216.95663858 147.3
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