CID 18670393

81705-92-2

Structural Information

Molecular Formula

C₇H₈ClNO₂S

SMILES

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

InChI

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

InChIKey

WHXRBCKHWPNHMP-UHFFFAOYSA-N

Compound name

2-pyridin-4-ylethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 204.99643 Da
Monoisotopic Mass: 1.3
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]+	206.00371	140.7
[M+Na]+	227.98565	153.8
[M+NH4]+	223.03025	149.0
[M+K]+	243.95959	145.4
[M-H]-	203.98915	141.3
[M+Na-2H]-	225.97110	147.2
[M]+	204.99588	143.5
[M]-	204.99698	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe