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]+ 203.94771 121.6
[M+Na]+ 225.92965 135.9
[M-H]- 201.93315 126.6
[M+NH4]+ 220.97425 143.8
[M+K]+ 241.90359 123.0
[M+H-H2O]+ 185.93769 122.8
[M+HCOO]- 247.93863 137.5
[M+CH3COO]- 261.95428 178.5
[M+Na-2H]- 223.91510 128.3
[M]+ 202.93988 140.2
[M]- 202.94098 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.