CID 2794622

85952-30-3

Structural Information

Molecular Formula

C₇H₅Cl₃O₂S

SMILES

C1=CC(=C(C=C1CS(=O)(=O)Cl)Cl)Cl

InChI

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

InChIKey

DRYGYFAFCNDLEJ-UHFFFAOYSA-N

Compound name

(3,4-dichlorophenyl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 272
Patents: 257.9076 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]+	258.914876	144.1
[M+Na]+	280.896818	155.5
[M-H]-	256.900324	147.6
[M+NH4]+	275.941423	163.2
[M+K]+	296.870758	149.6
[M+H-H2O]+	240.904860	142.0
[M+HCOO]-	302.905801	148.3
[M+CH3COO]-	316.921451	188.3
[M+Na-2H]-	278.882266	147.2
[M]+	257.90705142	149.6
[M]-	257.90814858	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe