CID 2843133

346692-04-4

Structural Information

Molecular Formula

C₁₆H₁₈FNO₂S

SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H18FNO2S/c1-2-3-4-13-5-9-15(10-6-13)18-21(19,20)16-11-7-14(17)8-12-16/h5-12,18H,2-4H2,1H3

InChIKey

CNGHPXKWPGIDSK-UHFFFAOYSA-N

Compound name

N-(4-butylphenyl)-4-fluorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 13
Patents: 307.10422 Da
Monoisotopic Mass: 4.4
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]+	308.11150	168.3
[M+Na]+	330.09344	176.0
[M-H]-	306.09694	173.7
[M+NH4]+	325.13804	183.4
[M+K]+	346.06738	170.4
[M+H-H2O]+	290.10148	159.8
[M+HCOO]-	352.10242	186.0
[M+CH3COO]-	366.11807	204.5
[M+Na-2H]-	328.07889	171.6
[M]+	307.10367	170.2
[M]-	307.10477	170.2

Literature stripe

literature stripe

Patent stripe

patents stripe