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 125.8
[M+Na]+ 218.94497 135.8
[M-H]- 194.94847 132.4
[M+NH4]+ 213.98957 148.1
[M+K]+ 234.91891 127.0
[M+H-H2O]+ 178.95301 127.0
[M+HCOO]- 240.95395 139.8
[M+CH3COO]- 254.96960 177.2
[M+Na-2H]- 216.93042 132.5
[M]+ 195.95520 143.0
[M]- 195.95630 143.0
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.