CID 15076240

5-chlorothiophene-2-carbothioamide

Structural Information

Molecular Formula
C5H4ClNS2
SMILES
C1=C(SC(=C1)Cl)C(=S)N
InChI
InChI=1S/C5H4ClNS2/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H2,7,8)
InChIKey
MLOPLHLFVKWWEM-UHFFFAOYSA-N
Compound name
5-chlorothiophene-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

176.94737 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.95465 131.9
[M+Na]+ 199.93659 142.0
[M-H]- 175.94009 135.8
[M+NH4]+ 194.98119 154.9
[M+K]+ 215.91053 136.7
[M+H-H2O]+ 159.94463 128.1
[M+HCOO]- 221.94557 142.0
[M+CH3COO]- 235.96122 177.3
[M+Na-2H]- 197.92204 131.0
[M]+ 176.94682 133.1
[M]- 176.94792 133.1
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