CID 155820779

5-bromo-3-chlorothiophene-2-carboxamide

Structural Information

Molecular Formula
C5H3BrClNOS
SMILES
C1=C(SC(=C1Cl)C(=O)N)Br
InChI
InChI=1S/C5H3BrClNOS/c6-3-1-2(7)4(10-3)5(8)9/h1H,(H2,8,9)
InChIKey
RMYIZBJGFRCIHF-UHFFFAOYSA-N
Compound name
5-bromo-3-chlorothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

238.88074 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.88802 133.8
[M+Na]+ 261.86996 148.5
[M-H]- 237.87346 140.9
[M+NH4]+ 256.91456 158.1
[M+K]+ 277.84390 135.1
[M+H-H2O]+ 221.87800 135.3
[M+HCOO]- 283.87894 148.1
[M+CH3COO]- 297.89459 185.7
[M+Na-2H]- 259.85541 136.8
[M]+ 238.88019 154.4
[M]- 238.88129 154.4
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