CID 141281895

2-(2-chloropyridin-4-yl)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₇H₇Cl₂NO₂S

SMILES

C1=CN=C(C=C1CCS(=O)(=O)Cl)Cl

InChI

InChI=1S/C7H7Cl2NO2S/c8-7-5-6(1-3-10-7)2-4-13(9,11)12/h1,3,5H,2,4H2

InChIKey

VKSYBRQNZHWMLO-UHFFFAOYSA-N

Compound name

2-(2-chloro-4-pyridinyl)ethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 238.95746 Da
Monoisotopic Mass: 2.2
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]+	239.964736	142.4
[M+Na]+	261.946678	153.3
[M-H]-	237.950184	145.1
[M+NH4]+	256.991283	160.8
[M+K]+	277.920618	148.0
[M+H-H2O]+	221.954720	138.2
[M+HCOO]-	283.955661	150.7
[M+CH3COO]-	297.971311	184.2
[M+Na-2H]-	259.932126	147.1
[M]+	238.95691142	148.1
[M]-	238.95800858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.