CID 164011

116761-95-6

Structural Information

Molecular Formula
C9H5Cl4NO2
SMILES
C1C2(C3C(C1(C(=C2Cl)Cl)Cl)C(=O)NC3=O)Cl
InChI
InChI=1S/C9H5Cl4NO2/c10-4-5(11)9(13)1-8(4,12)2-3(9)7(16)14-6(2)15/h2-3H,1H2,(H,14,15,16)
InChIKey
UPGSFLYHZCTRMC-UHFFFAOYSA-N
Compound name
1,7,8,9-tetrachloro-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.90744 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.91472 165.7
[M+Na]+ 321.89666 179.0
[M-H]- 297.90016 165.1
[M+NH4]+ 316.94126 190.8
[M+K]+ 337.87060 171.1
[M+H-H2O]+ 281.90470 164.7
[M+HCOO]- 343.90564 164.8
[M+CH3COO]- 357.92129 176.2
[M+Na-2H]- 319.88211 164.5
[M]+ 298.90689 166.4
[M]- 298.90799 166.4
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.