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]+ 217.96337 127.0
[M+Na]+ 239.94531 139.4
[M-H]- 215.94881 132.4
[M+NH4]+ 234.98991 148.8
[M+K]+ 255.91925 128.0
[M+H-H2O]+ 199.95335 127.4
[M+HCOO]- 261.95429 143.9
[M+CH3COO]- 275.96994 182.5
[M+Na-2H]- 237.93076 134.9
[M]+ 216.95554 147.6
[M]- 216.95664 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.