CID 167738774

N-(4-bromo-2-hydroxyphenyl)ethene-1-sulfonamide

Structural Information

Molecular Formula

C₈H₈BrNO₃S

SMILES

C=CS(=O)(=O)NC1=C(C=C(C=C1)Br)O

InChI

InChI=1S/C8H8BrNO3S/c1-2-14(12,13)10-7-4-3-6(9)5-8(7)11/h2-5,10-11H,1H2

InChIKey

RMXMEDRMMDLRAU-UHFFFAOYSA-N

Compound name

N-(4-bromo-2-hydroxyphenyl)ethenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 276.94083 Da
Monoisotopic Mass: 1.7
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]+	277.948106	140.4
[M+Na]+	299.930048	152.8
[M-H]-	275.933554	146.0
[M+NH4]+	294.974653	159.9
[M+K]+	315.903988	139.6
[M+H-H2O]+	259.938090	140.4
[M+HCOO]-	321.939031	156.8
[M+CH3COO]-	335.954681	190.7
[M+Na-2H]-	297.915496	147.0
[M]+	276.94028142	160.2
[M]-	276.94137858	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.