CID 13118592

23384-03-4

Structural Information

Molecular Formula

C₇H₅ClF₃NO₂S

SMILES

C1=CC(=CC(=C1)Cl)NS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C7H5ClF3NO2S/c8-5-2-1-3-6(4-5)12-15(13,14)7(9,10)11/h1-4,12H

InChIKey

MXLHOBVHWWPJNL-UHFFFAOYSA-N

Compound name

N-(3-chlorophenyl)-1,1,1-trifluoromethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 258.96817 Da
Monoisotopic Mass: 4.0
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]+	259.97545	150.2
[M+Na]+	281.95739	158.4
[M+NH4]+	277.00199	155.5
[M+K]+	297.93133	152.6
[M-H]-	257.96089	146.6
[M+Na-2H]-	279.94284	154.0
[M]+	258.96762	150.7
[M]-	258.96872	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe