CID 97046907

5-bromo-4-methylpyridine-2-thiol

Structural Information

Molecular Formula
C6H6BrNS
SMILES
CC1=CC(=S)NC=C1Br
InChI
InChI=1S/C6H6BrNS/c1-4-2-6(9)8-3-5(4)7/h2-3H,1H3,(H,8,9)
InChIKey
RMCYXAWMSNCDAM-UHFFFAOYSA-N
Compound name
5-bromo-4-methyl-1H-pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.94043 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.947706 121.6
[M+Na]+ 225.929648 135.9
[M-H]- 201.933154 126.6
[M+NH4]+ 220.974253 143.8
[M+K]+ 241.903588 123.0
[M+H-H2O]+ 185.937690 122.8
[M+HCOO]- 247.938631 137.5
[M+CH3COO]- 261.954281 178.5
[M+Na-2H]- 223.915096 128.3
[M]+ 202.93988142 140.2
[M]- 202.94097858 140.2
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

No patent data available for this compound.