CID 793270

1024-38-0

Structural Information

Molecular Formula

C₁₃H₁₂BrNO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2Br

InChI

InChI=1S/C13H12BrNO2S/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14/h2-9,15H,1H3

InChIKey

NAEOKZYYHWFPCK-UHFFFAOYSA-N

Compound name

N-(2-bromophenyl)-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 7
Patents: 324.9772 Da
Monoisotopic Mass: 3.1
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]+	325.98448	155.1
[M+Na]+	347.96642	167.0
[M-H]-	323.96992	164.7
[M+NH4]+	343.01102	173.4
[M+K]+	363.94036	154.0
[M+H-H2O]+	307.97446	154.3
[M+HCOO]-	369.97540	172.6
[M+CH3COO]-	383.99105	201.9
[M+Na-2H]-	345.95187	162.1
[M]+	324.97665	175.5
[M]-	324.97775	175.5

Literature stripe

literature stripe

Patent stripe

patents stripe