CID 4962801

4-(2-bromoethoxy)benzenesulfonamide

Structural Information

Molecular Formula

C₈H₁₀BrNO₃S

SMILES

C1=CC(=CC=C1OCCBr)S(=O)(=O)N

InChI

InChI=1S/C8H10BrNO3S/c9-5-6-13-7-1-3-8(4-2-7)14(10,11)12/h1-4H,5-6H2,(H2,10,11,12)

InChIKey

CYGFGUSYYFANTB-UHFFFAOYSA-N

Compound name

4-(2-bromoethoxy)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 278.95648 Da
Monoisotopic Mass: 1.2
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	140.4
[M+Na]+	301.94570	141.9
[M+NH4]+	296.99030	144.3
[M+K]+	317.91964	142.0
[M-H]-	277.94920	140.0
[M+Na-2H]-	299.93115	143.3
[M]+	278.95593	139.6
[M]-	278.95703	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe