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: 1
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]+	152.977156	130.4
[M+Na]+	174.959098	142.6
[M-H]-	150.962604	131.9
[M+NH4]+	170.003703	151.1
[M+K]+	190.933038	139.5
[M+H-H2O]+	134.967140	121.8
[M+HCOO]-	196.968081	139.7
[M+CH3COO]-	210.983731	178.6
[M+Na-2H]-	172.944546	134.4
[M]+	151.96933142	129.5
[M]-	151.97042858	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe