CID 165452755

2138252-72-7

Structural Information

Molecular Formula

C₃H₄ClFO₃S

SMILES

C(CS(=O)(=O)F)C(=O)Cl

InChI

InChI=1S/C3H4ClFO3S/c4-3(6)1-2-9(5,7)8/h1-2H2

InChIKey

RCBWILIUZQOTKU-UHFFFAOYSA-N

Compound name

3-fluorosulfonylpropanoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 173.95537 Da
Monoisotopic Mass: 0.6
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]+	174.96265	124.9
[M+Na]+	196.94459	134.7
[M-H]-	172.94809	124.8
[M+NH4]+	191.98919	146.4
[M+K]+	212.91853	132.1
[M+H-H2O]+	156.95263	121.1
[M+HCOO]-	218.95357	137.4
[M+CH3COO]-	232.96922	173.0
[M+Na-2H]-	194.93004	128.7
[M]+	173.95482	128.7
[M]-	173.95592	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.