CID 86812192

3-cyanocyclopentane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₆H₈ClNO₂S

SMILES

C1CC(CC1C#N)S(=O)(=O)Cl

InChI

InChI=1S/C6H8ClNO2S/c7-11(9,10)6-2-1-5(3-6)4-8/h5-6H,1-3H2

InChIKey

OXCYOVKRXSQRRR-UHFFFAOYSA-N

Compound name

3-cyanocyclopentane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 192.99643 Da
Monoisotopic Mass: 1.0
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]+	194.00371	134.0
[M+Na]+	215.98565	143.3
[M+NH4]+	211.03025	138.9
[M+K]+	231.95959	135.5
[M-H]-	191.98915	126.9
[M+Na-2H]-	213.97110	135.3
[M]+	192.99588	133.0
[M]-	192.99698	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe