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 127.4
[M+Na]+ 250.93481 129.1
[M+NH4]+ 245.97941 133.6
[M+K]+ 266.90875 127.8
[M-H]- 226.93831 128.3
[M+Na-2H]- 248.92026 130.6
[M]+ 227.94504 127.1
[M]- 227.94614 127.1
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.