CID 83296

13279-58-8

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₅S

SMILES

CC(=O)NC1=CC(=C(C=C1OC)S(=O)(=O)Cl)OC

InChI

InChI=1S/C10H12ClNO5S/c1-6(13)12-7-4-9(17-3)10(18(11,14)15)5-8(7)16-2/h4-5H,1-3H3,(H,12,13)

InChIKey

QMJIZLZFBGRSAS-UHFFFAOYSA-N

Compound name

4-acetamido-2,5-dimethoxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 293.01248 Da
Monoisotopic Mass: 1.1
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]+	294.01976	161.7
[M+Na]+	316.00170	172.3
[M+NH4]+	311.04630	167.6
[M+K]+	331.97564	166.5
[M-H]-	292.00520	161.4
[M+Na-2H]-	313.98715	165.3
[M]+	293.01193	163.6
[M]-	293.01303	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe