CID 2755675

3157-65-1

Structural Information

Molecular Formula

C₁₄H₁₂ClNO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H12ClNO2S/c1-11-2-8-14(9-3-11)19(17,18)16-10-12-4-6-13(15)7-5-12/h2-10H,1H3

InChIKey

LKDZCWUUTSGZNH-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)methylidene]-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 293.02774 Da
Monoisotopic Mass: 3.8
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]+	294.03502	164.6
[M+Na]+	316.01696	179.6
[M+NH4]+	311.06156	173.4
[M+K]+	331.99090	169.2
[M-H]-	292.02046	169.4
[M+Na-2H]-	314.00241	174.0
[M]+	293.02719	169.0
[M]-	293.02829	169.0

Literature stripe

literature stripe

Patent stripe

patents stripe