CID 5706324

N-(4-chlorobenzylidene)-4-methylbenzenesulfonamide

Structural Information

Molecular Formula

C₁₄H₁₂ClNO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C/C2=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/b16-10+

InChIKey

LKDZCWUUTSGZNH-MHWRWJLKSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	294.035016	163.1
[M+Na]+	316.016958	173.3
[M-H]-	292.020464	171.9
[M+NH4]+	311.061563	180.6
[M+K]+	331.990898	167.2
[M+H-H2O]+	276.025000	156.7
[M+HCOO]-	338.025941	179.7
[M+CH3COO]-	352.041591	200.5
[M+Na-2H]-	314.002406	167.9
[M]+	293.02719142	168.6
[M]-	293.02828858	168.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.