CID 594465

(2,6-dichlorophenyl)methanesulfonyl chloride

Structural Information

Molecular Formula

C₇H₅Cl₃O₂S

SMILES

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

InChI

InChI=1S/C7H5Cl3O2S/c8-6-2-1-3-7(9)5(6)4-13(10,11)12/h1-3H,4H2

InChIKey

JAIDEMJIMSTEKX-UHFFFAOYSA-N

Compound name

(2,6-dichlorophenyl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 257.9076 Da
Monoisotopic Mass: 3.1
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]+	258.91488	152.9
[M+Na]+	280.89682	167.3
[M+NH4]+	275.94142	161.6
[M+K]+	296.87076	157.8
[M-H]-	256.90032	153.9
[M+Na-2H]-	278.88227	158.8
[M]+	257.90705	156.6
[M]-	257.90815	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe