CID 2776499

6-phenoxypyridine-3-sulfonyl chloride

Structural Information

Molecular Formula

C₁₁H₈ClNO₃S

SMILES

C1=CC=C(C=C1)OC2=NC=C(C=C2)S(=O)(=O)Cl

InChI

InChI=1S/C11H8ClNO3S/c12-17(14,15)10-6-7-11(13-8-10)16-9-4-2-1-3-5-9/h1-8H

InChIKey

AHTIUBWJNYRYLG-UHFFFAOYSA-N

Compound name

6-phenoxypyridine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 138
Patents: 268.99133 Da
Monoisotopic Mass: 2.7
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]+	269.99861	154.9
[M+Na]+	291.98055	170.1
[M+NH4]+	287.02515	163.3
[M+K]+	307.95449	161.1
[M-H]-	267.98405	157.9
[M+Na-2H]-	289.96600	164.2
[M]+	268.99078	158.8
[M]-	268.99188	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe