CID 2405255

16937-20-5

Structural Information

Molecular Formula

C₁₃H₁₂ClNO₂S

SMILES

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H12ClNO2S/c14-12-7-4-8-13(9-12)18(16,17)15-10-11-5-2-1-3-6-11/h1-9,15H,10H2

InChIKey

BQZRGQCTSXEEFW-UHFFFAOYSA-N

Compound name

N-benzyl-3-chlorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 281.02774 Da
Monoisotopic Mass: 3.0
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]+	282.035016	159.1
[M+Na]+	304.016958	168.0
[M-H]-	280.020464	166.2
[M+NH4]+	299.061563	176.0
[M+K]+	319.990898	161.8
[M+H-H2O]+	264.025000	152.9
[M+HCOO]-	326.025941	174.4
[M+CH3COO]-	340.041591	195.4
[M+Na-2H]-	302.002406	164.7
[M]+	281.02719142	162.7
[M]-	281.02828858	162.7

Literature stripe

literature stripe

Patent stripe

patents stripe