CID 137949902

2172445-88-2

Structural Information

Molecular Formula
C5H8ClNO4S
SMILES
COC(=O)C1CN(C1)S(=O)(=O)Cl
InChI
InChI=1S/C5H8ClNO4S/c1-11-5(8)4-2-7(3-4)12(6,9)10/h4H,2-3H2,1H3
InChIKey
BTAXIPIOPGMSQU-UHFFFAOYSA-N
Compound name
methyl 1-chlorosulfonylazetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

212.98625 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.993526 131.2
[M+Na]+ 235.975468 138.2
[M-H]- 211.978974 133.6
[M+NH4]+ 231.020073 143.2
[M+K]+ 251.949408 139.4
[M+H-H2O]+ 195.983510 121.1
[M+HCOO]- 257.984451 141.5
[M+CH3COO]- 272.000101 183.0
[M+Na-2H]- 233.960916 134.1
[M]+ 212.98570142 144.5
[M]- 212.98679858 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

patents stripe