CID 58447921

887308-15-8

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

21
Patents

236.90146 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.908736 126.0
[M+Na]+ 259.890678 141.3
[M-H]- 235.894184 132.3
[M+NH4]+ 254.935283 148.5
[M+K]+ 275.864618 128.2
[M+H-H2O]+ 219.898720 127.7
[M+HCOO]- 281.899661 138.8
[M+CH3COO]- 295.915311 185.3
[M+Na-2H]- 257.876126 132.9
[M]+ 236.90091142 148.6
[M]- 236.90200858 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

patents stripe