CID 3819089

327093-05-0

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 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.