CID 61216233

N-(3-bromobenzenesulfonyl)acetamide

Structural Information

Molecular Formula

C₈H₈BrNO₃S

SMILES

CC(=O)NS(=O)(=O)C1=CC(=CC=C1)Br

InChI

InChI=1S/C8H8BrNO3S/c1-6(11)10-14(12,13)8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)

InChIKey

PPFWKFSFOCRHOX-UHFFFAOYSA-N

Compound name

N-(3-bromophenyl)sulfonylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 276.94083 Da
Monoisotopic Mass: 0.4
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]+	277.94811	137.6
[M+Na]+	299.93005	139.2
[M+NH4]+	294.97465	141.4
[M+K]+	315.90399	139.9
[M-H]-	275.93355	137.0
[M+Na-2H]-	297.91550	140.8
[M]+	276.94028	136.7
[M]-	276.94138	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe