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	130.0
[M+Na]+	190.99039	139.4
[M-H]-	166.99389	131.0
[M+NH4]+	186.03499	152.1
[M+K]+	206.96433	135.8
[M+H-H2O]+	150.99843	127.0
[M+HCOO]-	212.99937	143.7
[M+CH3COO]-	227.01502	173.5
[M+Na-2H]-	188.97584	134.2
[M]+	168.00062	134.9
[M]-	168.00172	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe