CID 232765

339-40-2

Structural Information

Molecular Formula

C₁₃H₁₁F₃N₂O₂S

SMILES

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

InChI

InChI=1S/C13H11F3N2O2S/c14-13(15,16)9-2-1-3-11(8-9)18-21(19,20)12-6-4-10(17)5-7-12/h1-8,18H,17H2

InChIKey

HLQMPESPBXMWOE-UHFFFAOYSA-N

Compound name

4-amino-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 316.04935 Da
Monoisotopic Mass: 2.4
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]+	317.05663	166.8
[M+Na]+	339.03857	174.9
[M+NH4]+	334.08317	171.5
[M+K]+	355.01251	168.8
[M-H]-	315.04207	165.7
[M+Na-2H]-	337.02402	172.3
[M]+	316.04880	167.7
[M]-	316.04990	167.7

Literature stripe

literature stripe

Patent stripe

patents stripe