CID 137965675

1-(chlorosulfonyl)azetidin-3-yl acetate

Structural Information

Molecular Formula
C5H8ClNO4S
SMILES
CC(=O)OC1CN(C1)S(=O)(=O)Cl
InChI
InChI=1S/C5H8ClNO4S/c1-4(8)11-5-2-7(3-5)12(6,9)10/h5H,2-3H2,1H3
InChIKey
GKXWDTDGXBHTDV-UHFFFAOYSA-N
Compound name
(1-chlorosulfonylazetidin-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.98625 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.99353 131.2
[M+Na]+ 235.97547 138.2
[M-H]- 211.97897 133.6
[M+NH4]+ 231.02007 143.2
[M+K]+ 251.94941 139.4
[M+H-H2O]+ 195.98351 121.1
[M+HCOO]- 257.98445 141.5
[M+CH3COO]- 272.00010 183.0
[M+Na-2H]- 233.96092 134.1
[M]+ 212.98570 144.5
[M]- 212.98680 144.5
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.