CID 232765

4-amino-n-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

316.04935 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.05663 164.5
[M+Na]+ 339.03857 173.0
[M-H]- 315.04207 167.1
[M+NH4]+ 334.08317 178.4
[M+K]+ 355.01251 167.2
[M+H-H2O]+ 299.04661 154.6
[M+HCOO]- 361.04755 179.7
[M+CH3COO]- 375.06320 205.2
[M+Na-2H]- 337.02402 168.7
[M]+ 316.04880 160.7
[M]- 316.04990 160.7
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