CID 121597194

2-(bromomethyl)-1,4-oxathiane

Structural Information

Molecular Formula
C5H9BrOS
SMILES
C1CSCC(O1)CBr
InChI
InChI=1S/C5H9BrOS/c6-3-5-4-8-2-1-7-5/h5H,1-4H2
InChIKey
QTQCKSBURQIQBB-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1,4-oxathiane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.95575 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.96303 121.3
[M+Na]+ 218.94497 123.5
[M+NH4]+ 213.98957 127.7
[M+K]+ 234.91891 122.7
[M-H]- 194.94847 123.6
[M+Na-2H]- 216.93042 124.3
[M]+ 195.95520 121.5
[M]- 195.95630 121.5
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.