CID 43134433

35509-62-7

Structural Information

Molecular Formula

C₇H₅Cl₃O₃S

SMILES

COC1=CC(=C(C=C1Cl)S(=O)(=O)Cl)Cl

InChI

InChI=1S/C7H5Cl3O3S/c1-13-6-2-5(9)7(3-4(6)8)14(10,11)12/h2-3H,1H3

InChIKey

UXVBWWBVJVHLTI-UHFFFAOYSA-N

Compound name

2,5-dichloro-4-methoxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 273.9025 Da
Monoisotopic Mass: 3.2
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]+	274.90978	145.9
[M+Na]+	296.89172	157.9
[M-H]-	272.89522	149.8
[M+NH4]+	291.93632	164.6
[M+K]+	312.86566	152.7
[M+H-H2O]+	256.89976	144.0
[M+HCOO]-	318.90070	150.4
[M+CH3COO]-	332.91635	191.3
[M+Na-2H]-	294.87717	148.6
[M]+	273.90195	153.2
[M]-	273.90305	153.2

Literature stripe

literature stripe

Patent stripe

patents stripe