CID 11346858

2065-04-5

Structural Information

Molecular Formula

C₉H₁₀BrNO₃S

SMILES

CS(=O)(=O)NC1=CC=CC(=C1)C(=O)CBr

InChI

InChI=1S/C9H10BrNO3S/c1-15(13,14)11-8-4-2-3-7(5-8)9(12)6-10/h2-5,11H,6H2,1H3

InChIKey

CPSLFLKTEZYTER-UHFFFAOYSA-N

Compound name

N-[3-(2-bromoacetyl)phenyl]methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 290.95648 Da
Monoisotopic Mass: 2.4
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]+	291.96376	141.9
[M+Na]+	313.94570	143.3
[M+NH4]+	308.99030	145.5
[M+K]+	329.91964	143.8
[M-H]-	289.94920	141.3
[M+Na-2H]-	311.93115	144.8
[M]+	290.95593	141.0
[M]-	290.95703	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe