CID 135564401

3-hydroxyazetidine-1-sulfonyl fluoride

Structural Information

Molecular Formula

C₃H₆FNO₃S

SMILES

C1C(CN1S(=O)(=O)F)O

InChI

InChI=1S/C3H6FNO3S/c4-9(7,8)5-1-3(6)2-5/h3,6H,1-2H2

InChIKey

UVVWXPJXQJATHS-UHFFFAOYSA-N

Compound name

3-hydroxyazetidine-1-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 155.00525 Da
Monoisotopic Mass: -0.8
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]+	156.01253	121.6
[M+Na]+	177.99447	128.5
[M-H]-	153.99797	121.4
[M+NH4]+	173.03907	134.4
[M+K]+	193.96841	130.3
[M+H-H2O]+	138.00251	110.2
[M+HCOO]-	200.00345	134.9
[M+CH3COO]-	214.01910	172.2
[M+Na-2H]-	175.97992	125.3
[M]+	155.00470	129.6
[M]-	155.00580	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.