CID 63942664

But-2-yne-1-sulfonyl chloride

Structural Information

Molecular Formula

C₄H₅ClO₂S

SMILES

CC#CCS(=O)(=O)Cl

InChI

InChI=1S/C4H5ClO2S/c1-2-3-4-8(5,6)7/h4H2,1H3

InChIKey

XZWVGZDKBDNXSV-UHFFFAOYSA-N

Compound name

but-2-yne-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 151.96988 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]+	152.97716	130.4
[M+Na]+	174.95910	142.6
[M-H]-	150.96260	131.9
[M+NH4]+	170.00370	151.1
[M+K]+	190.93304	139.5
[M+H-H2O]+	134.96714	121.8
[M+HCOO]-	196.96808	139.7
[M+CH3COO]-	210.98373	178.6
[M+Na-2H]-	172.94455	134.4
[M]+	151.96933	129.5
[M]-	151.97043	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.