CID 295231

N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

Structural Information

Molecular Formula
C13H10F3NO2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C13H10F3NO2S/c14-13(15,16)10-5-4-6-11(9-10)17-20(18,19)12-7-2-1-3-8-12/h1-9,17H
InChIKey
YPMHGAUQQLJHJH-UHFFFAOYSA-N
Compound name
N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

301.03842 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.04570 165.4
[M+Na]+ 324.02764 174.6
[M+NH4]+ 319.07224 170.7
[M+K]+ 340.00158 167.5
[M-H]- 300.03114 164.1
[M+Na-2H]- 322.01309 171.5
[M]+ 301.03787 166.6
[M]- 301.03897 166.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe