CID 295161

N-(3,4-dimethylphenyl)-4-fluorobenzenesulfonamide

Structural Information

Molecular Formula

C₁₄H₁₄FNO₂S

SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)F)C

InChI

InChI=1S/C14H14FNO2S/c1-10-3-6-13(9-11(10)2)16-19(17,18)14-7-4-12(15)5-8-14/h3-9,16H,1-2H3

InChIKey

IJCSKFYHYFBPNB-UHFFFAOYSA-N

Compound name

N-(3,4-dimethylphenyl)-4-fluorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1
Patents: 279.07294 Da
Monoisotopic Mass: 3.3
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]+	280.08022	159.1
[M+Na]+	302.06216	168.6
[M-H]-	278.06566	165.4
[M+NH4]+	297.10676	175.7
[M+K]+	318.03610	163.5
[M+H-H2O]+	262.07020	151.2
[M+HCOO]-	324.07114	177.4
[M+CH3COO]-	338.08679	199.7
[M+Na-2H]-	300.04761	162.7
[M]+	279.07239	160.7
[M]-	279.07349	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe