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

122
Patents

188.92477 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.93205 117.7
[M+Na]+ 211.91399 131.6
[M-H]- 187.91749 122.5
[M+NH4]+ 206.95859 140.2
[M+K]+ 227.88793 119.0
[M+H-H2O]+ 171.92203 119.0
[M+HCOO]- 233.92297 133.9
[M+CH3COO]- 247.93862 174.6
[M+Na-2H]- 209.89944 125.5
[M]+ 188.92422 135.6
[M]- 188.92532 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