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 120.6
[M+Na]+ 249.95078 131.2
[M-H]- 225.95428 125.7
[M+NH4]+ 244.99538 135.7
[M+K]+ 265.92472 123.8
[M+H-H2O]+ 209.95882 116.1
[M+HCOO]- 271.95976 134.1
[M+CH3COO]- 285.97541 186.1
[M+Na-2H]- 247.93623 127.0
[M]+ 226.96101 148.4
[M]- 226.96211 148.4
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.