CID 99272

Hydantoin, 5,5-diphenyl-3-(trichloromethylthio)-

Structural Information

Molecular Formula
C16H11Cl3N2O2S
SMILES
C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)SC(Cl)(Cl)Cl)C3=CC=CC=C3
InChI
InChI=1S/C16H11Cl3N2O2S/c17-16(18,19)24-21-13(22)15(20-14(21)23,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,20,23)
InChIKey
WUJSRESMPLDNLO-UHFFFAOYSA-N
Compound name
5,5-diphenyl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.9607 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.96798 185.7
[M+Na]+ 422.94992 195.5
[M-H]- 398.95342 190.5
[M+NH4]+ 417.99452 199.0
[M+K]+ 438.92386 187.7
[M+H-H2O]+ 382.95796 179.3
[M+HCOO]- 444.95890 184.0
[M+CH3COO]- 458.97455 194.5
[M+Na-2H]- 420.93537 185.2
[M]+ 399.96015 187.9
[M]- 399.96125 187.9
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.