CID 16782148

1494-84-4

Structural Information

Molecular Formula

C₁₂H₁₁FN₂O₂S

SMILES

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

InChI

InChI=1S/C12H11FN2O2S/c13-9-2-1-3-11(8-9)15-18(16,17)12-6-4-10(14)5-7-12/h1-8,15H,14H2

InChIKey

CXENRUGJGUFZLE-UHFFFAOYSA-N

Compound name

4-amino-N-(3-fluorophenyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 266.05252 Da
Monoisotopic Mass: 1.7
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]+	267.059796	154.4
[M+Na]+	289.041738	163.0
[M-H]-	265.045244	159.9
[M+NH4]+	284.086343	170.5
[M+K]+	305.015678	157.7
[M+H-H2O]+	249.049780	146.3
[M+HCOO]-	311.050721	173.7
[M+CH3COO]-	325.066371	197.0
[M+Na-2H]-	287.027186	159.3
[M]+	266.05197142	153.2
[M]-	266.05306858	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe