CID 43140158

4-bromothiophene-2-carbothioamide

Structural Information

Molecular Formula
C5H4BrNS2
SMILES
C1=C(SC=C1Br)C(=S)N
InChI
InChI=1S/C5H4BrNS2/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H2,7,8)
InChIKey
NCTSBNPWZRWXBI-UHFFFAOYSA-N
Compound name
4-bromothiophene-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.89685 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.90413 119.4
[M+Na]+ 243.88607 120.6
[M+NH4]+ 238.93067 125.6
[M+K]+ 259.86001 120.4
[M-H]- 219.88957 120.5
[M+Na-2H]- 241.87152 122.1
[M]+ 220.89630 119.4
[M]- 220.89740 119.4
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.