CID 22607386

552331-85-8

Structural Information

Molecular Formula
C5H4BrNS
SMILES
C1=C(C=NC=C1Br)S
InChI
InChI=1S/C5H4BrNS/c6-4-1-5(8)3-7-2-4/h1-3,8H
InChIKey
WTGUVGABIUXMIS-UHFFFAOYSA-N
Compound name
5-bromopyridine-3-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
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 117.5
[M+Na]+ 211.913988 131.6
[M-H]- 187.917494 123.7
[M+NH4]+ 206.958593 140.8
[M+K]+ 227.887928 120.7
[M+H-H2O]+ 171.922030 118.6
[M+HCOO]- 233.922971 135.1
[M+CH3COO]- 247.938621 177.9
[M+Na-2H]- 209.899436 125.9
[M]+ 188.92422142 137.9
[M]- 188.92531858 137.9
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