CID 3069748

Brn 5311419

Structural Information

Molecular Formula
C14H13Cl3N2O4S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC(C(Cl)(Cl)Cl)NS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H13Cl3N2O4S2/c15-14(16,17)13(18-24(20,21)11-7-3-1-4-8-11)19-25(22,23)12-9-5-2-6-10-12/h1-10,13,18-19H
InChIKey
BUWOHYPRLJFBFH-UHFFFAOYSA-N
Compound name
N-[1-(benzenesulfonamido)-2,2,2-trichloroethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.93823 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.94551 201.7
[M+Na]+ 464.92745 211.4
[M+NH4]+ 459.97205 207.2
[M+K]+ 480.90139 202.3
[M-H]- 440.93095 202.6
[M+Na-2H]- 462.91290 207.3
[M]+ 441.93768 204.8
[M]- 441.93878 204.8
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.