CID 121552779

Rac-(3r,4s)-3-bromo-4-methoxy-1lambda6-thiolane-1,1-dione

Structural Information

Molecular Formula
C5H9BrO3S
SMILES
CO[C@@H]1CS(=O)(=O)C[C@H]1Br
InChI
InChI=1S/C5H9BrO3S/c1-9-5-3-10(7,8)2-4(5)6/h4-5H,2-3H2,1H3/t4-,5-/m1/s1
InChIKey
ZZULUONTENMHNV-RFZPGFLSSA-N
Compound name
(3S,4R)-3-bromo-4-methoxythiolane 1,1-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 129.1
[M+Na]+ 250.93481 143.0
[M-H]- 226.93831 136.3
[M+NH4]+ 245.97941 155.4
[M+K]+ 266.90875 133.0
[M+H-H2O]+ 210.94285 131.8
[M+HCOO]- 272.94379 146.6
[M+CH3COO]- 286.95944 180.9
[M+Na-2H]- 248.92026 134.3
[M]+ 227.94504 150.5
[M]- 227.94614 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.