CID 853960

727-31-1

Structural Information

Molecular Formula

C₁₃H₁₂FNO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C13H12FNO2S/c1-10-2-8-13(9-3-10)18(16,17)15-12-6-4-11(14)5-7-12/h2-9,15H,1H3

InChIKey

FVZXDKXFEPVJRE-UHFFFAOYSA-N

Compound name

N-(4-fluorophenyl)-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 34
Patents: 265.05728 Da
Monoisotopic Mass: 2.9
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]+	266.06456	154.9
[M+Na]+	288.04650	164.0
[M-H]-	264.05000	161.0
[M+NH4]+	283.09110	171.8
[M+K]+	304.02044	159.0
[M+H-H2O]+	248.05454	147.1
[M+HCOO]-	310.05548	173.7
[M+CH3COO]-	324.07113	195.5
[M+Na-2H]-	286.03195	159.7
[M]+	265.05673	155.8
[M]-	265.05783	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe