CID 3717197

Cyclopentanesulfonyl chloride

Structural Information

Molecular Formula

C₅H₉ClO₂S

SMILES

C1CCC(C1)S(=O)(=O)Cl

InChI

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

InChIKey

HZVKYZHPDGEECE-UHFFFAOYSA-N

Compound name

cyclopentanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 885
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	133.0
[M+Na]+	190.99039	141.9
[M-H]-	166.99389	137.0
[M+NH4]+	186.03499	156.6
[M+K]+	206.96433	139.0
[M+H-H2O]+	150.99843	129.7
[M+HCOO]-	212.99937	146.1
[M+CH3COO]-	227.01502	170.6
[M+Na-2H]-	188.97584	135.7
[M]+	168.00062	134.3
[M]-	168.00172	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe