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

100
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 117.5
[M+Na]+ 211.91399 131.6
[M-H]- 187.91749 123.7
[M+NH4]+ 206.95859 140.8
[M+K]+ 227.88793 120.7
[M+H-H2O]+ 171.92203 118.6
[M+HCOO]- 233.92297 135.1
[M+CH3COO]- 247.93862 177.9
[M+Na-2H]- 209.89944 125.9
[M]+ 188.92422 137.9
[M]- 188.92532 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