CID 22327297

98995-40-5

Structural Information

Molecular Formula

C₉H₁₁ClO₃S

SMILES

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

InChI

InChI=1S/C9H11ClO3S/c1-7(2)13-8-3-5-9(6-4-8)14(10,11)12/h3-7H,1-2H3

InChIKey

IJWCRHKAQNFJLT-UHFFFAOYSA-N

Compound name

4-propan-2-yloxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 331
Patents: 234.01175 Da
Monoisotopic Mass: 2.7
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]+	235.01903	147.9
[M+Na]+	257.00097	160.3
[M+NH4]+	252.04557	156.0
[M+K]+	272.97491	152.9
[M-H]-	233.00447	148.6
[M+Na-2H]-	254.98642	153.5
[M]+	234.01120	150.6
[M]-	234.01230	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe