CID 14872245

Pent-4-ene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₉ClO₂S

SMILES

C=CCCCS(=O)(=O)Cl

InChI

InChI=1S/C5H9ClO2S/c1-2-3-4-5-9(6,7)8/h2H,1,3-5H2

InChIKey

MWMAHNLJLSYHDC-UHFFFAOYSA-N

Compound name

pent-4-ene-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 168.00117 Da
Monoisotopic Mass: 1.8
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]+	169.00845	134.5
[M+Na]+	190.99039	145.1
[M+NH4]+	186.03499	142.3
[M+K]+	206.96433	137.5
[M-H]-	166.99389	132.9
[M+Na-2H]-	188.97584	137.3
[M]+	168.00062	136.2
[M]-	168.00172	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe