CID 80051759

4-[(2-bromoethyl)sulfanyl]pyridine hydrobromide

Structural Information

Molecular Formula
C7H8BrNS
SMILES
C1=CN=CC=C1SCCBr
InChI
InChI=1S/C7H8BrNS/c8-3-6-10-7-1-4-9-5-2-7/h1-2,4-5H,3,6H2
InChIKey
ZUXNSAWDSDMHQO-UHFFFAOYSA-N
Compound name
4-(2-bromoethylsulfanyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.95609 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.963366 127.0
[M+Na]+ 239.945308 139.4
[M-H]- 215.948814 132.4
[M+NH4]+ 234.989913 148.8
[M+K]+ 255.919248 128.0
[M+H-H2O]+ 199.953350 127.4
[M+HCOO]- 261.954291 143.9
[M+CH3COO]- 275.969941 182.5
[M+Na-2H]- 237.930756 134.9
[M]+ 216.95554142 147.6
[M]- 216.95663858 147.6
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.