CID 17376521

N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide

Structural Information

Molecular Formula
C13H9F4NO2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)F
InChI
InChI=1S/C13H9F4NO2S/c14-11-7-6-9(13(15,16)17)8-12(11)18-21(19,20)10-4-2-1-3-5-10/h1-8,18H
InChIKey
JEDBJRIEXZVNCM-UHFFFAOYSA-N
Compound name
N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.02902 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.03630 163.4
[M+Na]+ 342.01824 172.9
[M-H]- 318.02174 165.4
[M+NH4]+ 337.06284 177.8
[M+K]+ 357.99218 167.1
[M+H-H2O]+ 302.02628 152.9
[M+HCOO]- 364.02722 177.3
[M+CH3COO]- 378.04287 203.5
[M+Na-2H]- 340.00369 167.4
[M]+ 319.02847 160.2
[M]- 319.02957 160.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.