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

24
Patents

216.95609 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.96337 126.0
[M+Na]+ 239.94531 140.0
[M-H]- 215.94881 132.1
[M+NH4]+ 234.98991 148.4
[M+K]+ 255.91925 128.5
[M+H-H2O]+ 199.95335 126.7
[M+HCOO]- 261.95429 142.8
[M+CH3COO]- 275.96994 184.5
[M+Na-2H]- 237.93076 132.7
[M]+ 216.95554 147.3
[M]- 216.95664 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