CID 12712817

78046-28-3

Structural Information

Molecular Formula

C₈H₈Cl₂O₄S

SMILES

COC1=CC(=C(C=C1S(=O)(=O)Cl)Cl)OC

InChI

InChI=1S/C8H8Cl2O4S/c1-13-6-4-7(14-2)8(3-5(6)9)15(10,11)12/h3-4H,1-2H3

InChIKey

HXTZVKXMOKCJPE-UHFFFAOYSA-N

Compound name

5-chloro-2,4-dimethoxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 269.95203 Da
Monoisotopic Mass: 2.5
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]+	270.95931	147.0
[M+Na]+	292.94125	158.8
[M-H]-	268.94475	151.8
[M+NH4]+	287.98585	166.0
[M+K]+	308.91519	154.6
[M+H-H2O]+	252.94929	144.0
[M+HCOO]-	314.95023	156.8
[M+CH3COO]-	328.96588	190.9
[M+Na-2H]-	290.92670	150.5
[M]+	269.95148	156.4
[M]-	269.95258	156.4

Literature stripe

literature stripe

Patent stripe

patents stripe