CID 1475421

337924-18-2

Structural Information

Molecular Formula

C₁₄H₁₅FN₂O₂S

SMILES

C1=CC=C(C=C1)CNS(=O)(=O)NCC2=CC=CC=C2F

InChI

InChI=1S/C14H15FN2O2S/c15-14-9-5-4-8-13(14)11-17-20(18,19)16-10-12-6-2-1-3-7-12/h1-9,16-17H,10-11H2

InChIKey

OWUJRSPSYCVIJG-UHFFFAOYSA-N

Compound name

N-[(2-fluorophenyl)methylsulfamoyl]-1-phenylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 294.08383 Da
Monoisotopic Mass: 2.1
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]+	295.091106	162.5
[M+Na]+	317.073048	169.3
[M-H]-	293.076554	167.7
[M+NH4]+	312.117653	177.4
[M+K]+	333.046988	163.9
[M+H-H2O]+	277.081090	153.7
[M+HCOO]-	339.082031	181.8
[M+CH3COO]-	353.097681	202.4
[M+Na-2H]-	315.058496	168.2
[M]+	294.08328142	162.5
[M]-	294.08437858	162.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.