CID 274147

52480-33-8

Structural Information

Molecular Formula

C₉H₁₁ClN₂O₃S

SMILES

C1COCCN1S(=O)(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C9H11ClN2O3S/c10-9-2-1-8(7-11-9)16(13,14)12-3-5-15-6-4-12/h1-2,7H,3-6H2

InChIKey

BHGFDIYEFUUCNM-UHFFFAOYSA-N

Compound name

4-(6-chloropyridin-3-yl)sulfonylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 61
Patents: 262.01788 Da
Monoisotopic Mass: 0.6
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]+	263.02516	153.3
[M+Na]+	285.00710	166.3
[M+NH4]+	280.05170	160.8
[M+K]+	300.98104	159.0
[M-H]-	261.01060	156.2
[M+Na-2H]-	282.99255	159.5
[M]+	262.01733	156.7
[M]-	262.01843	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe