CID 15093021

Hex-5-ene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₆H₁₁ClO₂S

SMILES

C=CCCCCS(=O)(=O)Cl

InChI

InChI=1S/C6H11ClO2S/c1-2-3-4-5-6-10(7,8)9/h2H,1,3-6H2

InChIKey

APLYZYMBSJZROE-UHFFFAOYSA-N

Compound name

hex-5-ene-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 182.01683 Da
Monoisotopic Mass: 2.2
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]+	183.02411	134.5
[M+Na]+	205.00605	143.5
[M-H]-	181.00955	135.4
[M+NH4]+	200.05065	156.0
[M+K]+	220.97999	139.7
[M+H-H2O]+	165.01409	131.3
[M+HCOO]-	227.01503	147.9
[M+CH3COO]-	241.03068	176.6
[M+Na-2H]-	202.99150	138.3
[M]+	182.01628	139.8
[M]-	182.01738	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe