CID 4103202

303062-06-8

Structural Information

Molecular Formula
C14H10BrCl4N3O2S
SMILES
C1=CC=C(C(=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=C(O2)Br)Cl
InChI
InChI=1S/C14H10BrCl4N3O2S/c15-10-6-5-9(24-10)11(23)21-12(14(17,18)19)22-13(25)20-8-4-2-1-3-7(8)16/h1-6,12H,(H,21,23)(H2,20,22,25)
InChIKey
VOHLOSLPMQZHDY-UHFFFAOYSA-N
Compound name
5-bromo-N-[2,2,2-trichloro-1-[(2-chlorophenyl)carbamothioylamino]ethyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.8431 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.85038 200.6
[M+Na]+ 525.83232 202.3
[M+NH4]+ 520.87692 203.6
[M+K]+ 541.80626 201.0
[M-H]- 501.83582 201.9
[M+Na-2H]- 523.81777 201.5
[M]+ 502.84255 201.3
[M]- 502.84365 201.3
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.