CID 82393560

2-bromo-4h,5h,6h-cyclopenta[b]thiophen-4-one

Structural Information

Molecular Formula
C7H5BrOS
SMILES
C1CC(=O)C2=C1SC(=C2)Br
InChI
InChI=1S/C7H5BrOS/c8-7-3-4-5(9)1-2-6(4)10-7/h3H,1-2H2
InChIKey
YSGWNYYXJIIWDG-UHFFFAOYSA-N
Compound name
2-bromo-5,6-dihydrocyclopenta[b]thiophen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

215.92445 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.93173 134.4
[M+Na]+ 238.91367 136.2
[M+NH4]+ 233.95827 140.9
[M+K]+ 254.88761 137.5
[M-H]- 214.91717 134.9
[M+Na-2H]- 236.89912 135.6
[M]+ 215.92390 133.9
[M]- 215.92500 133.9
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

No patent data available for this compound.