CID 2754842

Akos004909457

Structural Information

Molecular Formula
C8H9BrN2S2
SMILES
CCSC1=NC(=CC(=C1)C(=S)N)Br
InChI
InChI=1S/C8H9BrN2S2/c1-2-13-7-4-5(8(10)12)3-6(9)11-7/h3-4H,2H2,1H3,(H2,10,12)
InChIKey
HYCOYQVVESOAAZ-UHFFFAOYSA-N
Compound name
2-bromo-6-ethylsulfanylpyridine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.93906 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.94634 131.6
[M+Na]+ 298.92828 144.4
[M-H]- 274.93178 136.5
[M+NH4]+ 293.97288 151.0
[M+K]+ 314.90222 129.9
[M+H-H2O]+ 258.93632 131.4
[M+HCOO]- 320.93726 142.1
[M+CH3COO]- 334.95291 195.5
[M+Na-2H]- 296.91373 134.9
[M]+ 275.93851 150.7
[M]- 275.93961 150.7
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.