CID 4248846

303062-44-4

Structural Information

Molecular Formula
C14H9BrCl5N3O2S
SMILES
C1=CC(=C(C=C1Cl)Cl)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=C(O2)Br
InChI
InChI=1S/C14H9BrCl5N3O2S/c15-10-4-3-9(25-10)11(24)22-12(14(18,19)20)23-13(26)21-8-2-1-6(16)5-7(8)17/h1-5,12H,(H,22,24)(H2,21,23,26)
InChIKey
IOZSQDKFWWYFPP-UHFFFAOYSA-N
Compound name
5-bromo-N-[2,2,2-trichloro-1-[(2,4-dichlorophenyl)carbamothioylamino]ethyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.80414 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.81142 210.3
[M+Na]+ 559.79336 212.4
[M+NH4]+ 554.83796 212.8
[M+K]+ 575.76730 210.1
[M-H]- 535.79686 210.9
[M+Na-2H]- 557.77881 210.1
[M]+ 536.80359 211.0
[M]- 536.80469 211.0
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.