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

50
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 151.3
[M+Na]+ 312.00677 157.6
[M-H]- 288.01027 156.2
[M+NH4]+ 307.05137 160.1
[M+K]+ 327.98071 157.1
[M+H-H2O]+ 272.01481 139.3
[M+HCOO]- 334.01575 161.4
[M+CH3COO]- 348.03140 195.4
[M+Na-2H]- 309.99222 154.0
[M]+ 289.01700 164.5
[M]- 289.01810 164.5
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