CID 118985

36457-58-6

Structural Information

Molecular Formula

C₈H₈F₃NO₂S

SMILES

C1=CC=C(C=C1)CNS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C8H8F3NO2S/c9-8(10,11)15(13,14)12-6-7-4-2-1-3-5-7/h1-5,12H,6H2

InChIKey

IJHVVEQTOXFGCL-UHFFFAOYSA-N

Compound name

N-benzyl-1,1,1-trifluoromethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 239.02278 Da
Monoisotopic Mass: 2.9
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]+	240.03006	150.9
[M+Na]+	262.01200	158.0
[M+NH4]+	257.05660	155.8
[M+K]+	277.98594	152.3
[M-H]-	238.01550	147.1
[M+Na-2H]-	259.99745	154.4
[M]+	239.02223	150.9
[M]-	239.02333	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe