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]+ 221.904126 124.3
[M+Na]+ 243.886068 138.0
[M-H]- 219.889574 130.9
[M+NH4]+ 238.930673 148.5
[M+K]+ 259.860008 124.9
[M+H-H2O]+ 203.894110 125.0
[M+HCOO]- 265.895051 137.4
[M+CH3COO]- 279.910701 183.9
[M+Na-2H]- 241.871516 126.8
[M]+ 220.89630142 142.4
[M]- 220.89739858 142.4
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.