CID 12383434

3-bromopyridine-2-thiol

Structural Information

Molecular Formula
C5H4BrNS
SMILES
C1=CNC(=S)C(=C1)Br
InChI
InChI=1S/C5H4BrNS/c6-4-2-1-3-7-5(4)8/h1-3H,(H,7,8)
InChIKey
DYSAQUBMKLAXTJ-UHFFFAOYSA-N
Compound name
3-bromo-1H-pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

188.92477 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.932046 117.7
[M+Na]+ 211.913988 131.6
[M-H]- 187.917494 122.5
[M+NH4]+ 206.958593 140.2
[M+K]+ 227.887928 119.0
[M+H-H2O]+ 171.922030 119.0
[M+HCOO]- 233.922971 133.9
[M+CH3COO]- 247.938621 174.6
[M+Na-2H]- 209.899436 125.5
[M]+ 188.92422142 135.6
[M]- 188.92531858 135.6
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