CID 4962509

5-bromo-n-hydroxythiophene-2-carboxamide

Structural Information

Molecular Formula
C5H4BrNO2S
SMILES
C1=C(SC(=C1)Br)C(=O)NO
InChI
InChI=1S/C5H4BrNO2S/c6-4-2-1-3(10-4)5(8)7-9/h1-2,9H,(H,7,8)
InChIKey
DUAVGTBNUROKDD-UHFFFAOYSA-N
Compound name
5-bromo-N-hydroxythiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

220.91461 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.921886 131.4
[M+Na]+ 243.903828 143.8
[M-H]- 219.907334 137.2
[M+NH4]+ 238.948433 154.8
[M+K]+ 259.877768 132.4
[M+H-H2O]+ 203.911870 131.8
[M+HCOO]- 265.912811 149.5
[M+CH3COO]- 279.928461 180.6
[M+Na-2H]- 241.889276 135.9
[M]+ 220.91406142 150.4
[M]- 220.91515858 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.