CID 44181959

1-allylcyclopropane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₆H₉ClO₂S

SMILES

C=CCC1(CC1)S(=O)(=O)Cl

InChI

InChI=1S/C6H9ClO2S/c1-2-3-6(4-5-6)10(7,8)9/h2H,1,3-5H2

InChIKey

AQYNREAFYINZPS-UHFFFAOYSA-N

Compound name

1-prop-2-enylcyclopropane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 162
Patents: 180.00117 Da
Monoisotopic Mass: 1.9
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	140.3
[M+Na]+	202.99039	152.5
[M+NH4]+	198.03499	150.3
[M+K]+	218.96433	144.7
[M-H]-	178.99389	147.0
[M+Na-2H]-	200.97584	148.2
[M]+	180.00062	145.8
[M]-	180.00172	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe