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 135.6
[M+Na]+ 238.91367 150.7
[M-H]- 214.91717 144.2
[M+NH4]+ 233.95827 163.5
[M+K]+ 254.88761 140.2
[M+H-H2O]+ 198.92171 138.2
[M+HCOO]- 260.92265 154.2
[M+CH3COO]- 274.93830 152.9
[M+Na-2H]- 236.89912 139.3
[M]+ 215.92390 156.4
[M]- 215.92500 156.4
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