CID 31935

23474-43-3

Structural Information

Molecular Formula
C9H5Cl4NO2
SMILES
C1=CC(=C(C(=C1C2(C(O2)Cl)C(=O)N)Cl)Cl)Cl
InChI
InChI=1S/C9H5Cl4NO2/c10-4-2-1-3(5(11)6(4)12)9(8(14)15)7(13)16-9/h1-2,7H,(H2,14,15)
InChIKey
BRSYMLUWFHEDPI-UHFFFAOYSA-N
Compound name
3-chloro-2-(2,3,4-trichlorophenyl)oxirane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.90744 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.91472 146.9
[M+Na]+ 321.89666 158.2
[M-H]- 297.90016 151.4
[M+NH4]+ 316.94126 158.9
[M+K]+ 337.87060 153.9
[M+H-H2O]+ 281.90470 144.6
[M+HCOO]- 343.90564 150.2
[M+CH3COO]- 357.92129 204.1
[M+Na-2H]- 319.88211 149.5
[M]+ 298.90689 151.9
[M]- 298.90799 151.9
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.