CID 122164227

3-(bromomethyl)-1-methanesulfonylazetidine

Structural Information

Molecular Formula
C5H10BrNO2S
SMILES
CS(=O)(=O)N1CC(C1)CBr
InChI
InChI=1S/C5H10BrNO2S/c1-10(8,9)7-3-5(2-6)4-7/h5H,2-4H2,1H3
InChIKey
KXELYSYKYZUVTD-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1-methylsulfonylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.96156 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.96884 127.1
[M+Na]+ 249.95078 124.6
[M+NH4]+ 244.99538 127.9
[M+K]+ 265.92472 127.1
[M-H]- 225.95428 123.1
[M+Na-2H]- 247.93623 126.6
[M]+ 226.96101 123.7
[M]- 226.96211 123.7
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.