CID 3423198

303094-99-7

Structural Information

Molecular Formula
C13H9Cl5N2O2
SMILES
C1=COC(=C1)C(=O)NC(C(Cl)(Cl)Cl)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H9Cl5N2O2/c14-8-4-3-7(6-9(8)15)19-12(13(16,17)18)20-11(21)10-2-1-5-22-10/h1-6,12,19H,(H,20,21)
InChIKey
NDLZAGWLZPLJBG-UHFFFAOYSA-N
Compound name
N-[2,2,2-trichloro-1-(3,4-dichloroanilino)ethyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.91068 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.91796 190.2
[M+Na]+ 422.89990 196.7
[M-H]- 398.90340 192.0
[M+NH4]+ 417.94450 201.3
[M+K]+ 438.87384 191.9
[M+H-H2O]+ 382.90794 185.7
[M+HCOO]- 444.90888 187.0
[M+CH3COO]- 458.92453 218.4
[M+Na-2H]- 420.88535 188.6
[M]+ 399.91013 191.1
[M]- 399.91123 191.1
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.