CID 3519858

3-fluoro-n-[(pyridin-3-yl)methyl]benzene-1-sulfonamide

Structural Information

Molecular Formula

C₁₂H₁₁FN₂O₂S

SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCC2=CN=CC=C2)F

InChI

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

InChIKey

OLSSNLCBQWWWAA-UHFFFAOYSA-N

Compound name

3-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.05252 Da
Monoisotopic Mass: 1.4
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]+	267.059796	155.0
[M+Na]+	289.041738	163.7
[M-H]-	265.045244	159.4
[M+NH4]+	284.086343	170.2
[M+K]+	305.015678	158.6
[M+H-H2O]+	249.049780	146.3
[M+HCOO]-	311.050721	172.8
[M+CH3COO]-	325.066371	194.0
[M+Na-2H]-	287.027186	161.0
[M]+	266.05197142	155.5
[M]-	266.05306858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.