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

40
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 128.6
[M+Na]+ 227.90892 141.6
[M-H]- 203.91242 135.3
[M+NH4]+ 222.95352 153.0
[M+K]+ 243.88286 130.3
[M+H-H2O]+ 187.91696 129.0
[M+HCOO]- 249.91790 147.3
[M+CH3COO]- 263.93355 181.1
[M+Na-2H]- 225.89437 132.4
[M]+ 204.91915 147.2
[M]- 204.92025 147.2
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