CID 22479292

56077-78-2

Structural Information

Molecular Formula

C₉H₉ClO₅S

SMILES

COC(=O)COC1=CC=C(C=C1)S(=O)(=O)Cl

InChI

InChI=1S/C9H9ClO5S/c1-14-9(11)6-15-7-2-4-8(5-3-7)16(10,12)13/h2-5H,6H2,1H3

InChIKey

ISHZBFTYSQSGBF-UHFFFAOYSA-N

Compound name

methyl 2-(4-chlorosulfonylphenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 263.98593 Da
Monoisotopic Mass: 1.4
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]+	264.99321	153.0
[M+Na]+	286.97515	164.4
[M+NH4]+	282.01975	159.6
[M+K]+	302.94909	158.0
[M-H]-	262.97865	152.4
[M+Na-2H]-	284.96060	157.6
[M]+	263.98538	155.0
[M]-	263.98648	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe