CID 22665753

215453-85-3

Structural Information

Molecular Formula

C₁₁H₁₃ClO₄S

SMILES

C1COCCC1OC2=CC=C(C=C2)S(=O)(=O)Cl

InChI

InChI=1S/C11H13ClO4S/c12-17(13,14)11-3-1-9(2-4-11)16-10-5-7-15-8-6-10/h1-4,10H,5-8H2

InChIKey

ZOHSCBXEKHQRRV-UHFFFAOYSA-N

Compound name

4-(oxan-4-yloxy)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 276.0223 Da
Monoisotopic Mass: 2.3
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]+	277.029576	155.3
[M+Na]+	299.011518	162.7
[M-H]-	275.015024	162.6
[M+NH4]+	294.056123	171.2
[M+K]+	314.985458	160.1
[M+H-H2O]+	259.019560	149.8
[M+HCOO]-	321.020501	165.8
[M+CH3COO]-	335.036151	189.8
[M+Na-2H]-	296.996966	160.0
[M]+	276.02175142	158.2
[M]-	276.02284858	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe