CID 55279594

2-cyclopropylethane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₉ClO₂S

SMILES

C1CC1CCS(=O)(=O)Cl

InChI

InChI=1S/C5H9ClO2S/c6-9(7,8)4-3-5-1-2-5/h5H,1-4H2

InChIKey

QJVYBAAMABSOKJ-UHFFFAOYSA-N

Compound name

2-cyclopropylethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 168.00117 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]+	169.008446	127.3
[M+Na]+	190.990388	137.7
[M-H]-	166.993894	132.2
[M+NH4]+	186.034993	144.3
[M+K]+	206.964328	134.0
[M+H-H2O]+	150.998430	122.8
[M+HCOO]-	212.999371	141.4
[M+CH3COO]-	227.015021	176.6
[M+Na-2H]-	188.975836	132.2
[M]+	168.00062142	133.7
[M]-	168.00171858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe