CID 2754839

Akos004909456

Structural Information

Molecular Formula
C8H9ClN2S2
SMILES
CCSC1=NC(=CC(=C1)C(=S)N)Cl
InChI
InChI=1S/C8H9ClN2S2/c1-2-13-7-4-5(8(10)12)3-6(9)11-7/h3-4H,2H2,1H3,(H2,10,12)
InChIKey
LDPDKARGZGOMQM-UHFFFAOYSA-N
Compound name
2-chloro-6-ethylsulfanylpyridine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.98956 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.99684 142.4
[M+Na]+ 254.97878 151.8
[M-H]- 230.98228 144.6
[M+NH4]+ 250.02338 160.4
[M+K]+ 270.95272 145.1
[M+H-H2O]+ 214.98682 137.3
[M+HCOO]- 276.98776 149.7
[M+CH3COO]- 291.00341 189.6
[M+Na-2H]- 252.96423 142.1
[M]+ 231.98901 144.6
[M]- 231.99011 144.6
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.