CID 16116364

But-3-yne-1-sulfonyl chloride

Structural Information

Molecular Formula

C₄H₅ClO₂S

SMILES

C#CCCS(=O)(=O)Cl

InChI

InChI=1S/C4H5ClO2S/c1-2-3-4-8(5,6)7/h1H,3-4H2

InChIKey

DWRHSVMNAYQMBM-UHFFFAOYSA-N

Compound name

but-3-yne-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
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	122.2
[M+Na]+	174.95910	133.0
[M+NH4]+	170.00370	126.9
[M+K]+	190.93304	123.8
[M-H]-	150.96260	113.5
[M+Na-2H]-	172.94455	123.5
[M]+	151.96933	121.0
[M]-	151.97043	121.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe