CID 63264532

2-(pyridin-3-yl)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₇H₈ClNO₂S

SMILES

C1=CC(=CN=C1)CCS(=O)(=O)Cl

InChI

InChI=1S/C7H8ClNO2S/c8-12(10,11)5-3-7-2-1-4-9-6-7/h1-2,4,6H,3,5H2

InChIKey

MQEDNMBQDSRIEM-UHFFFAOYSA-N

Compound name

2-pyridin-3-ylethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 204.99643 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]+	206.003706	137.7
[M+Na]+	227.985648	147.7
[M-H]-	203.989154	140.6
[M+NH4]+	223.030253	156.8
[M+K]+	243.959588	143.5
[M+H-H2O]+	187.993690	132.6
[M+HCOO]-	249.994631	151.1
[M+CH3COO]-	264.010281	178.3
[M+Na-2H]-	225.971096	143.7
[M]+	204.99588142	142.2
[M]-	204.99697858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe