CID 3819089

3-amino-n-(3-trifluoromethyl-phenyl)-benzenesulfonamide

Structural Information

Molecular Formula
C13H11F3N2O2S
SMILES
C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC(=C2)N)C(F)(F)F
InChI
InChI=1S/C13H11F3N2O2S/c14-13(15,16)9-3-1-5-11(7-9)18-21(19,20)12-6-2-4-10(17)8-12/h1-8,18H,17H2
InChIKey
LNRXTKNBQCSDLR-UHFFFAOYSA-N
Compound name
3-amino-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.04935 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.05663 166.8
[M+Na]+ 339.03857 174.9
[M+NH4]+ 334.08317 171.5
[M+K]+ 355.01251 168.8
[M-H]- 315.04207 165.7
[M+Na-2H]- 337.02402 172.3
[M]+ 316.04880 167.7
[M]- 316.04990 167.7
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.