CID 458569

59724-43-5

Structural Information

Molecular Formula

C₈H₁₀BrNO₃S

SMILES

C1=CC(=CC=C1S(=O)(=O)NCCO)Br

InChI

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

InChIKey

SYFKBNOLTPSXPQ-UHFFFAOYSA-N

Compound name

4-bromo-N-(2-hydroxyethyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 135
Patents: 278.95648 Da
Monoisotopic Mass: 0.9
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	142.1
[M+Na]+	301.94570	153.4
[M-H]-	277.94920	147.3
[M+NH4]+	296.99030	161.3
[M+K]+	317.91964	140.7
[M+H-H2O]+	261.95374	141.9
[M+HCOO]-	323.95468	158.3
[M+CH3COO]-	337.97033	190.4
[M+Na-2H]-	299.93115	149.3
[M]+	278.95593	162.2
[M]-	278.95703	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe