CID 155820087

2300071-44-5

Structural Information

Molecular Formula

C₆H₉FN₂O₂S

SMILES

CCCN1C=CN=C1S(=O)(=O)F

InChI

InChI=1S/C6H9FN2O2S/c1-2-4-9-5-3-8-6(9)12(7,10)11/h3,5H,2,4H2,1H3

InChIKey

FKZDWXOZFUVPAZ-UHFFFAOYSA-N

Compound name

1-propylimidazole-2-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 192.03688 Da
Monoisotopic Mass: 1.0
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]+	193.04416	136.5
[M+Na]+	215.02610	147.3
[M-H]-	191.02960	137.1
[M+NH4]+	210.07070	156.1
[M+K]+	231.00004	145.1
[M+H-H2O]+	175.03414	129.7
[M+HCOO]-	237.03508	153.2
[M+CH3COO]-	251.05073	178.1
[M+Na-2H]-	213.01155	139.6
[M]+	192.03633	139.5
[M]-	192.03743	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.