CID 55280164

Hex-5-yne-1-sulfonyl chloride

Structural Information

Molecular Formula

C₆H₉ClO₂S

SMILES

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

InChI

InChI=1S/C6H9ClO2S/c1-2-3-4-5-6-10(7,8)9/h1H,3-6H2

InChIKey

VYNDGSIDPUZLRH-UHFFFAOYSA-N

Compound name

hex-5-yne-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 180.00117 Da
Monoisotopic Mass: 1.7
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]+	181.00845	137.9
[M+Na]+	202.99039	149.2
[M-H]-	178.99389	139.0
[M+NH4]+	198.03499	157.5
[M+K]+	218.96433	145.7
[M+H-H2O]+	162.99843	128.9
[M+HCOO]-	224.99937	146.6
[M+CH3COO]-	239.01502	184.6
[M+Na-2H]-	200.97584	141.0
[M]+	180.00062	137.7
[M]-	180.00172	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.