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]+ 221.92189 131.4
[M+Na]+ 243.90383 143.8
[M-H]- 219.90733 137.2
[M+NH4]+ 238.94843 154.8
[M+K]+ 259.87777 132.4
[M+H-H2O]+ 203.91187 131.8
[M+HCOO]- 265.91281 149.5
[M+CH3COO]- 279.92846 180.6
[M+Na-2H]- 241.88928 135.9
[M]+ 220.91406 150.4
[M]- 220.91516 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.