CID 18938063

5-bromothiophene-3-carboxamide

Structural Information

Molecular Formula
C5H4BrNOS
SMILES
C1=C(SC=C1C(=O)N)Br
InChI
InChI=1S/C5H4BrNOS/c6-4-1-3(2-9-4)5(7)8/h1-2H,(H2,7,8)
InChIKey
ISXKVVQBTQEGSI-UHFFFAOYSA-N
Compound name
5-bromothiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

204.9197 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.92698 127.1
[M+Na]+ 227.90892 128.1
[M+NH4]+ 222.95352 132.4
[M+K]+ 243.88286 129.5
[M-H]- 203.91242 127.4
[M+Na-2H]- 225.89437 129.4
[M]+ 204.91915 126.3
[M]- 204.92025 126.3
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