CID 7401

4-methoxybenzenesulfonyl chloride

Structural Information

Molecular Formula

C₇H₇ClO₃S

SMILES

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

InChI

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

InChIKey

DTJVECUKADWGMO-UHFFFAOYSA-N

Compound name

4-methoxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 8007
Patents: 205.98044 Da
Monoisotopic Mass: 1.5
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]+	206.98772	136.0
[M+Na]+	228.96966	146.7
[M-H]-	204.97316	140.8
[M+NH4]+	224.01426	156.7
[M+K]+	244.94360	143.2
[M+H-H2O]+	188.97770	132.0
[M+HCOO]-	250.97864	150.9
[M+CH3COO]-	264.99429	178.9
[M+Na-2H]-	226.95511	141.6
[M]+	205.97989	142.0
[M]-	205.98099	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.