CID 132351109

4-(2-bromoethoxy)-1lambda6-thiane-1,1-dione

Structural Information

Molecular Formula
C7H13BrO3S
SMILES
C1CS(=O)(=O)CCC1OCCBr
InChI
InChI=1S/C7H13BrO3S/c8-3-4-11-7-1-5-12(9,10)6-2-7/h7H,1-6H2
InChIKey
RIAFBPDEAJBXJI-UHFFFAOYSA-N
Compound name
4-(2-bromoethoxy)thiane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.97688 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.98416 135.7
[M+Na]+ 278.96610 146.5
[M-H]- 254.96960 141.8
[M+NH4]+ 274.01070 158.7
[M+K]+ 294.94004 136.2
[M+H-H2O]+ 238.97414 137.4
[M+HCOO]- 300.97508 150.4
[M+CH3COO]- 314.99073 185.7
[M+Na-2H]- 276.95155 141.8
[M]+ 255.97633 155.4
[M]- 255.97743 155.4
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

No patent data available for this compound.