CID 106042

1h-isoindole-1,3(2h)-dione, 4,5,6,7-tetrachloro-2-heptyl-

Structural Information

Molecular Formula
C15H15Cl4NO2
SMILES
CCCCCCCN1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C15H15Cl4NO2/c1-2-3-4-5-6-7-20-14(21)8-9(15(20)22)11(17)13(19)12(18)10(8)16/h2-7H2,1H3
InChIKey
CUOUGOZXZOFWRN-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrachloro-2-heptylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

380.9857 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.99298 180.4
[M+Na]+ 403.97492 194.5
[M+NH4]+ 399.01952 187.5
[M+K]+ 419.94886 186.8
[M-H]- 379.97842 180.6
[M+Na-2H]- 401.96037 182.6
[M]+ 380.98515 183.5
[M]- 380.98625 183.5
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

patents stripe