CID 165754963

3-bromo-2-chloro-5-(methylsulfanyl)pyridine

Structural Information

Molecular Formula
C6H5BrClNS
SMILES
CSC1=CC(=C(N=C1)Cl)Br
InChI
InChI=1S/C6H5BrClNS/c1-10-4-2-5(7)6(8)9-3-4/h2-3H,1H3
InChIKey
QSQBATMRPAIKQU-UHFFFAOYSA-N
Compound name
3-bromo-2-chloro-5-methylsulfanylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.90146 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.90874 126.0
[M+Na]+ 259.89068 141.3
[M-H]- 235.89418 132.3
[M+NH4]+ 254.93528 148.5
[M+K]+ 275.86462 128.2
[M+H-H2O]+ 219.89872 127.7
[M+HCOO]- 281.89966 138.8
[M+CH3COO]- 295.91531 185.3
[M+Na-2H]- 257.87613 132.9
[M]+ 236.90091 148.6
[M]- 236.90201 148.6
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.