CID 18938142

2-bromothiophene-3-carboxamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

204.9197 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.926976 128.6
[M+Na]+ 227.908918 141.6
[M-H]- 203.912424 135.3
[M+NH4]+ 222.953523 153.0
[M+K]+ 243.882858 130.3
[M+H-H2O]+ 187.916960 129.0
[M+HCOO]- 249.917901 147.3
[M+CH3COO]- 263.933551 181.1
[M+Na-2H]- 225.894366 132.4
[M]+ 204.91915142 147.2
[M]- 204.92024858 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