CID 16058863

56673-34-8

Structural Information

Molecular Formula
C5H4BrNS
SMILES
C1=CC(=S)NC=C1Br
InChI
InChI=1S/C5H4BrNS/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
InChIKey
JPWXLRZTRDTFMR-UHFFFAOYSA-N
Compound name
5-bromo-1H-pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

188.92477 Da
Monoisotopic Mass

1.2
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

literature stripe

Patent stripe

patents stripe