CID 132371483

2155852-98-3

Structural Information

Molecular Formula

C₁₀H₁₇ClO₄S

SMILES

C1COC2(CCOCC2)CC1CS(=O)(=O)Cl

InChI

InChI=1S/C10H17ClO4S/c11-16(12,13)8-9-1-4-15-10(7-9)2-5-14-6-3-10/h9H,1-8H2

InChIKey

OFFOPHPFOCMRTE-UHFFFAOYSA-N

Compound name

1,9-dioxaspiro[5.5]undecan-4-ylmethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 268.05362 Da
Monoisotopic Mass: 1.2
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]+	269.06090	153.1
[M+Na]+	291.04284	158.4
[M-H]-	267.04634	159.1
[M+NH4]+	286.08744	170.2
[M+K]+	307.01678	158.0
[M+H-H2O]+	251.05088	149.0
[M+HCOO]-	313.05182	158.9
[M+CH3COO]-	327.06747	187.0
[M+Na-2H]-	289.02829	159.2
[M]+	268.05307	152.8
[M]-	268.05417	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe