CID 43603470

917096-84-5

Structural Information

Molecular Formula

C₉H₁₁F₃N₂O₂S

SMILES

C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)NCCN

InChI

InChI=1S/C9H11F3N2O2S/c10-9(11,12)7-1-3-8(4-2-7)17(15,16)14-6-5-13/h1-4,14H,5-6,13H2

InChIKey

HOVKSPHQQLXZON-UHFFFAOYSA-N

Compound name

N-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 268.04935 Da
Monoisotopic Mass: 0.8
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]+	269.05663	151.7
[M+Na]+	291.03857	159.4
[M-H]-	267.04207	150.9
[M+NH4]+	286.08317	167.6
[M+K]+	307.01251	155.1
[M+H-H2O]+	251.04661	142.9
[M+HCOO]-	313.04755	166.6
[M+CH3COO]-	327.06320	196.2
[M+Na-2H]-	289.02402	155.7
[M]+	268.04880	148.2
[M]-	268.04990	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe