CID 64476

Einecs 267-351-1

Structural Information

Molecular Formula
C18H15Cl4NO2
SMILES
C1C2CC3CC1CC(C2)C3N4C(=O)C5=C(C4=O)C(=C(C(=C5Cl)Cl)Cl)Cl
InChI
InChI=1S/C18H15Cl4NO2/c19-12-10-11(13(20)15(22)14(12)21)18(25)23(17(10)24)16-8-2-6-1-7(4-8)5-9(16)3-6/h6-9,16H,1-5H2
InChIKey
KEEUXWVQBUEGFG-UHFFFAOYSA-N
Compound name
2-(2-adamantyl)-4,5,6,7-tetrachloroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.9857 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.99298 194.3
[M+Na]+ 439.97492 201.8
[M-H]- 415.97842 190.3
[M+NH4]+ 435.01952 212.4
[M+K]+ 455.94886 195.5
[M+H-H2O]+ 399.98296 190.0
[M+HCOO]- 461.98390 181.0
[M+CH3COO]- 475.99955 199.5
[M+Na-2H]- 437.96037 193.2
[M]+ 416.98515 198.1
[M]- 416.98625 198.1
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.