CID 54592994

Benzyl 3-(chlorosulfonyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C11H12ClNO4S
SMILES
C1C(CN1C(=O)OCC2=CC=CC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C11H12ClNO4S/c12-18(15,16)10-6-13(7-10)11(14)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey
NUARHOWMZKPZDM-UHFFFAOYSA-N
Compound name
benzyl 3-chlorosulfonylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

289.01755 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.02483 153.6
[M+Na]+ 312.00677 160.5
[M+NH4]+ 307.05137 156.4
[M+K]+ 327.98071 156.2
[M-H]- 288.01027 151.5
[M+Na-2H]- 309.99222 156.8
[M]+ 289.01700 153.3
[M]- 289.01810 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe