CID 457121

3',5'-difluorosulfanilanilide

Structural Information

Molecular Formula

C₁₂H₁₀F₂N₂O₂S

SMILES

C1=CC(=CC=C1N)S(=O)(=O)NC2=CC(=CC(=C2)F)F

InChI

InChI=1S/C12H10F2N2O2S/c13-8-5-9(14)7-11(6-8)16-19(17,18)12-3-1-10(15)2-4-12/h1-7,16H,15H2

InChIKey

MSOHBVDACQTUJJ-UHFFFAOYSA-N

Compound name

4-amino-N-(3,5-difluorophenyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 284.0431 Da
Monoisotopic Mass: 1.8
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]+	285.05038	157.0
[M+Na]+	307.03232	166.4
[M-H]-	283.03582	161.3
[M+NH4]+	302.07692	172.5
[M+K]+	323.00626	160.7
[M+H-H2O]+	267.04036	148.0
[M+HCOO]-	329.04130	175.1
[M+CH3COO]-	343.05695	200.9
[M+Na-2H]-	305.01777	160.6
[M]+	284.04255	155.0
[M]-	284.04365	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe