CID 137951597

3-aminopropane-1-sulfonyl fluoride hydrochloride

Structural Information

Molecular Formula

C₃H₈FNO₂S

SMILES

C(CN)CS(=O)(=O)F

InChI

InChI=1S/C3H8FNO2S/c4-8(6,7)3-1-2-5/h1-3,5H2

InChIKey

IXZWLHWLRRMPIC-UHFFFAOYSA-N

Compound name

3-aminopropane-1-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 141.02597 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]+	142.03325	123.3
[M+Na]+	164.01519	131.6
[M-H]-	140.01869	122.2
[M+NH4]+	159.05979	144.7
[M+K]+	179.98913	130.0
[M+H-H2O]+	124.02323	117.8
[M+HCOO]-	186.02417	141.0
[M+CH3COO]-	200.03982	171.3
[M+Na-2H]-	162.00064	127.5
[M]+	141.02542	123.3
[M]-	141.02652	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.