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 124.3
[M+Na]+ 243.88607 138.0
[M-H]- 219.88957 130.9
[M+NH4]+ 238.93067 148.5
[M+K]+ 259.86001 124.9
[M+H-H2O]+ 203.89411 125.0
[M+HCOO]- 265.89505 137.4
[M+CH3COO]- 279.91070 183.9
[M+Na-2H]- 241.87152 126.8
[M]+ 220.89630 142.4
[M]- 220.89740 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.