CID 61401432

69129-62-0

Structural Information

Molecular Formula

C₁₀H₁₃ClO₃S

SMILES

CCC(C)OC1=CC(=CC=C1)S(=O)(=O)Cl

InChI

InChI=1S/C10H13ClO3S/c1-3-8(2)14-9-5-4-6-10(7-9)15(11,12)13/h4-8H,3H2,1-2H3

InChIKey

NMPIJVJGPLCDGF-UHFFFAOYSA-N

Compound name

3-butan-2-yloxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 248.02739 Da
Monoisotopic Mass: 3.2
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]+	249.034666	149.0
[M+Na]+	271.016608	158.0
[M-H]-	247.020114	153.3
[M+NH4]+	266.061213	167.9
[M+K]+	286.990548	154.3
[M+H-H2O]+	231.024650	144.5
[M+HCOO]-	293.025591	161.9
[M+CH3COO]-	307.041241	188.7
[M+Na-2H]-	269.002056	152.1
[M]+	248.02684142	155.5
[M]-	248.02793858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.