CID 847787

84910-99-6

Structural Information

Molecular Formula

C₈H₁₁NO₃S

SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N)OC

InChI

InChI=1S/C8H11NO3S/c1-6-5-7(13(9,10)11)3-4-8(6)12-2/h3-5H,1-2H3,(H2,9,10,11)

InChIKey

KVVBICXRDBQXOZ-UHFFFAOYSA-N

Compound name

4-methoxy-3-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 39
Patents: 201.04596 Da
Monoisotopic Mass: 1.3
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]+	202.05324	141.5
[M+Na]+	224.03518	152.4
[M+NH4]+	219.07978	149.0
[M+K]+	240.00912	146.1
[M-H]-	200.03868	142.6
[M+Na-2H]-	222.02063	146.6
[M]+	201.04541	143.7
[M]-	201.04651	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe