CID 60749684

32623-88-4

Structural Information

Molecular Formula

C₃H₃ClO₂S

SMILES

C#CCS(=O)(=O)Cl

InChI

InChI=1S/C3H3ClO2S/c1-2-3-7(4,5)6/h1H,3H2

InChIKey

UQIBXRSXIGQTRE-UHFFFAOYSA-N

Compound name

prop-2-yne-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 137.95422 Da
Monoisotopic Mass: 0.5
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]+	138.96150	126.2
[M+Na]+	160.94344	138.6
[M-H]-	136.94694	127.8
[M+NH4]+	155.98804	147.3
[M+K]+	176.91738	135.9
[M+H-H2O]+	120.95148	117.8
[M+HCOO]-	182.95242	135.8
[M+CH3COO]-	196.96807	176.5
[M+Na-2H]-	158.92889	130.6
[M]+	137.95367	125.0
[M]-	137.95477	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe