CID 58447921

5-bromo-2-chloro-3-methylthiopyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
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 128.3
[M+Na]+ 259.89068 134.0
[M+NH4]+ 254.93528 134.8
[M+K]+ 275.86462 131.4
[M-H]- 235.89418 129.7
[M+Na-2H]- 257.87613 133.3
[M]+ 236.90091 129.1
[M]- 236.90201 129.1
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