CID 2737504

3-methoxybenzenesulfonyl chloride

Structural Information

Molecular Formula

C₇H₇ClO₃S

SMILES

COC1=CC(=CC=C1)S(=O)(=O)Cl

InChI

InChI=1S/C7H7ClO3S/c1-11-6-3-2-4-7(5-6)12(8,9)10/h2-5H,1H3

InChIKey

JHJKSEKUZNJKGO-UHFFFAOYSA-N

Compound name

3-methoxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2017
Patents: 205.98044 Da
Monoisotopic Mass: 1.6
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]+	206.98772	139.3
[M+Na]+	228.96966	152.5
[M+NH4]+	224.01426	147.9
[M+K]+	244.94360	144.7
[M-H]-	204.97316	140.4
[M+Na-2H]-	226.95511	145.7
[M]+	205.97989	142.3
[M]-	205.98099	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe