CID 2757247

2905-26-2

Structural Information

Molecular Formula

C₁₀H₁₃ClO₂S

SMILES

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

InChI

InChI=1S/C10H13ClO2S/c1-10(2,3)8-5-4-6-9(7-8)14(11,12)13/h4-7H,1-3H3

InChIKey

WZQSQOIYTVCFMP-UHFFFAOYSA-N

Compound name

3-tert-butylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
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	146.6
[M+Na]+	255.02171	156.6
[M-H]-	231.02521	151.3
[M+NH4]+	250.06631	166.5
[M+K]+	270.99565	152.3
[M+H-H2O]+	215.02975	142.7
[M+HCOO]-	277.03069	158.8
[M+CH3COO]-	291.04634	185.6
[M+Na-2H]-	253.00716	151.5
[M]+	232.03194	151.7
[M]-	232.03304	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe