CID 58557762

1-ethylcyclopropane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₉ClO₂S

SMILES

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

InChI

InChI=1S/C5H9ClO2S/c1-2-5(3-4-5)9(6,7)8/h2-4H2,1H3

InChIKey

QNGQHQVBGKAXOY-UHFFFAOYSA-N

Compound name

1-ethylcyclopropane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 168.00117 Da
Monoisotopic Mass: 1.7
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]+	169.00845	136.8
[M+Na]+	190.99039	149.1
[M+NH4]+	186.03499	147.2
[M+K]+	206.96433	141.6
[M-H]-	166.99389	143.7
[M+Na-2H]-	188.97584	145.1
[M]+	168.00062	142.4
[M]-	168.00172	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe