CID 3061380

Brn 4331915

Structural Information

Molecular Formula
C15H13Cl3N2O3S
SMILES
C1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H13Cl3N2O3S/c16-15(17,18)14(19-13(21)11-7-3-1-4-8-11)20-24(22,23)12-9-5-2-6-10-12/h1-10,14,20H,(H,19,21)
InChIKey
DCYPLNNREOUTMO-UHFFFAOYSA-N
Compound name
N-[1-(benzenesulfonamido)-2,2,2-trichloroethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.97125 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.97853 183.4
[M+Na]+ 428.96047 189.5
[M-H]- 404.96397 188.8
[M+NH4]+ 424.00507 195.2
[M+K]+ 444.93441 183.2
[M+H-H2O]+ 388.96851 178.7
[M+HCOO]- 450.96945 186.0
[M+CH3COO]- 464.98510 215.9
[M+Na-2H]- 426.94592 187.2
[M]+ 405.97070 187.4
[M]- 405.97180 187.4
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.