CID 122163704

Azetidine-3-sulfonyl fluoride hydrochloride

Structural Information

Molecular Formula

C₃H₆FNO₂S

SMILES

C1C(CN1)S(=O)(=O)F

InChI

InChI=1S/C3H6FNO2S/c4-8(6,7)3-1-5-2-3/h3,5H,1-2H2

InChIKey

BEPOTUKGROTUGJ-UHFFFAOYSA-N

Compound name

azetidine-3-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 139.01033 Da
Monoisotopic Mass: -0.4
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]+	140.01761	119.0
[M+Na]+	161.99955	125.5
[M-H]-	138.00305	118.6
[M+NH4]+	157.04415	132.3
[M+K]+	177.97349	126.7
[M+H-H2O]+	122.00759	107.6
[M+HCOO]-	184.00853	132.1
[M+CH3COO]-	198.02418	169.0
[M+Na-2H]-	159.98500	123.2
[M]+	139.00978	125.3
[M]-	139.01088	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.