CID 43164336

3-bromo-4-ethoxybenzene-1-sulfonamide

Structural Information

Molecular Formula

C₈H₁₀BrNO₃S

SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N)Br

InChI

InChI=1S/C8H10BrNO3S/c1-2-13-8-4-3-6(5-7(8)9)14(10,11)12/h3-5H,2H2,1H3,(H2,10,11,12)

InChIKey

HPKXXQSZGWJJPE-UHFFFAOYSA-N

Compound name

3-bromo-4-ethoxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 278.95648 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]+	279.96376	140.3
[M+Na]+	301.94570	142.1
[M+NH4]+	296.99030	144.2
[M+K]+	317.91964	142.5
[M-H]-	277.94920	140.0
[M+Na-2H]-	299.93115	143.0
[M]+	278.95593	139.6
[M]-	278.95703	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe