CID 165640306

3-(fluorosulfonyl)azetidine-1-carbonyl chloride

Structural Information

Molecular Formula

C₄H₅ClFNO₃S

SMILES

C1C(CN1C(=O)Cl)S(=O)(=O)F

InChI

InChI=1S/C4H5ClFNO3S/c5-4(8)7-1-3(2-7)11(6,9)10/h3H,1-2H2

InChIKey

XRMQOIGFQYLNAK-UHFFFAOYSA-N

Compound name

3-fluorosulfonylazetidine-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 200.96626 Da
Monoisotopic Mass: 0.5
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]+	201.973536	126.5
[M+Na]+	223.955478	134.3
[M-H]-	199.958984	127.7
[M+NH4]+	219.000083	139.0
[M+K]+	239.929418	134.7
[M+H-H2O]+	183.963520	115.9
[M+HCOO]-	245.964461	135.9
[M+CH3COO]-	259.980111	180.6
[M+Na-2H]-	221.940926	129.2
[M]+	200.96571142	137.0
[M]-	200.96680858	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.