CID 14574359

4-isobutylbenzenesulfonyl chloride

Structural Information

Molecular Formula

C₁₀H₁₃ClO₂S

SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)Cl

InChI

InChI=1S/C10H13ClO2S/c1-8(2)7-9-3-5-10(6-4-9)14(11,12)13/h3-6,8H,7H2,1-2H3

InChIKey

FNONSGOSEKJJGP-UHFFFAOYSA-N

Compound name

4-(2-methylpropyl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 232.03249 Da
Monoisotopic Mass: 3.6
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]+	233.03977	149.5
[M+Na]+	255.02171	162.2
[M+NH4]+	250.06631	158.0
[M+K]+	270.99565	154.0
[M-H]-	231.02521	150.7
[M+Na-2H]-	253.00716	155.2
[M]+	232.03194	152.5
[M]-	232.03304	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe