CID 165693995

2742660-29-1

Structural Information

Molecular Formula

C₁₁H₁₅ClO₃S

SMILES

CCCCC1=C(C(=CC=C1)OC)S(=O)(=O)Cl

InChI

InChI=1S/C11H15ClO3S/c1-3-4-6-9-7-5-8-10(15-2)11(9)16(12,13)14/h5,7-8H,3-4,6H2,1-2H3

InChIKey

TVUZQHFUNSFZJS-UHFFFAOYSA-N

Compound name

2-butyl-6-methoxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 262.04303 Da
Monoisotopic Mass: 3.8
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]+	263.050306	153.4
[M+Na]+	285.032248	163.1
[M-H]-	261.035754	157.8
[M+NH4]+	280.076853	172.1
[M+K]+	301.006188	158.7
[M+H-H2O]+	245.040290	148.8
[M+HCOO]-	307.041231	167.0
[M+CH3COO]-	321.056881	192.0
[M+Na-2H]-	283.017696	156.4
[M]+	262.04248142	161.2
[M]-	262.04357858	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.