CID 121597696

2-(bromomethyl)-1,4lambda6-oxathiane-4,4-dione

Structural Information

Molecular Formula
C5H9BrO3S
SMILES
C1CS(=O)(=O)CC(O1)CBr
InChI
InChI=1S/C5H9BrO3S/c6-3-5-4-10(7,8)2-1-9-5/h5H,1-4H2
InChIKey
AFBWBJAONQHYEC-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1,4-oxathiane 4,4-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.94559 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.95287 126.6
[M+Na]+ 250.93481 138.3
[M-H]- 226.93831 133.7
[M+NH4]+ 245.97941 149.6
[M+K]+ 266.90875 129.4
[M+H-H2O]+ 210.94285 128.7
[M+HCOO]- 272.94379 141.3
[M+CH3COO]- 286.95944 180.1
[M+Na-2H]- 248.92026 134.5
[M]+ 227.94504 146.1
[M]- 227.94614 146.1
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.