CID 90083

N-(4-chlorophenyl)-1,1,1-trifluoromethanesulfonamide

Structural Information

Molecular Formula

C₇H₅ClF₃NO₂S

SMILES

C1=CC(=CC=C1NS(=O)(=O)C(F)(F)F)Cl

InChI

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

InChIKey

BBAZFSJXFYFJDS-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)-1,1,1-trifluoromethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 15
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	143.8
[M+Na]+	281.95739	154.0
[M-H]-	257.96089	144.3
[M+NH4]+	277.00199	161.8
[M+K]+	297.93133	148.9
[M+H-H2O]+	241.96543	136.9
[M+HCOO]-	303.96637	154.7
[M+CH3COO]-	317.98202	189.6
[M+Na-2H]-	279.94284	149.0
[M]+	258.96762	143.6
[M]-	258.96872	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe