CID 28560459

N-[(1s)-1-(4-bromophenyl)ethyl]methanesulfonamide

Structural Information

Molecular Formula

C₉H₁₂BrNO₂S

SMILES

C[C@@H](C1=CC=C(C=C1)Br)NS(=O)(=O)C

InChI

InChI=1S/C9H12BrNO2S/c1-7(11-14(2,12)13)8-3-5-9(10)6-4-8/h3-7,11H,1-2H3/t7-/m0/s1

InChIKey

VBKJAUSXTKHUMT-ZETCQYMHSA-N

Compound name

N-[(1S)-1-(4-bromophenyl)ethyl]methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 276.9772 Da
Monoisotopic Mass: 1.9
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]+	277.984476	143.5
[M+Na]+	299.966418	154.8
[M-H]-	275.969924	150.1
[M+NH4]+	295.011023	163.6
[M+K]+	315.940358	142.9
[M+H-H2O]+	259.974460	143.3
[M+HCOO]-	321.975401	159.7
[M+CH3COO]-	335.991051	194.4
[M+Na-2H]-	297.951866	149.5
[M]+	276.97665142	163.9
[M]-	276.97774858	163.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe