CID 80147929

3-(2-bromoacetyl)-1lambda6-thiolane-1,1-dione

Structural Information

Molecular Formula
C6H9BrO3S
SMILES
C1CS(=O)(=O)CC1C(=O)CBr
InChI
InChI=1S/C6H9BrO3S/c7-3-6(8)5-1-2-11(9,10)4-5/h5H,1-4H2
InChIKey
FEJBIFBZVJBBHS-UHFFFAOYSA-N
Compound name
2-bromo-1-(1,1-dioxothiolan-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.94559 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.95287 134.4
[M+Na]+ 262.93481 147.0
[M-H]- 238.93831 141.2
[M+NH4]+ 257.97941 159.8
[M+K]+ 278.90875 136.6
[M+H-H2O]+ 222.94285 136.7
[M+HCOO]- 284.94379 150.7
[M+CH3COO]- 298.95944 182.6
[M+Na-2H]- 260.92026 138.5
[M]+ 239.94504 154.5
[M]- 239.94614 154.5
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.