CID 72207662

1310732-18-3

Structural Information

Molecular Formula

C₈H₁₄ClNO₄S

SMILES

CC(C)(C)OC(=O)N1CC(C1)S(=O)(=O)Cl

InChI

InChI=1S/C8H14ClNO4S/c1-8(2,3)14-7(11)10-4-6(5-10)15(9,12)13/h6H,4-5H2,1-3H3

InChIKey

AZNUWDVFBPYWSU-UHFFFAOYSA-N

Compound name

tert-butyl 3-chlorosulfonylazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 160
Patents: 255.0332 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	256.040476	146.2
[M+Na]+	278.022418	152.4
[M-H]-	254.025924	148.5
[M+NH4]+	273.067023	156.8
[M+K]+	293.996358	153.4
[M+H-H2O]+	238.030460	136.2
[M+HCOO]-	300.031401	154.1
[M+CH3COO]-	314.047051	190.7
[M+Na-2H]-	276.007866	148.6
[M]+	255.03265142	159.9
[M]-	255.03374858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe