CID 84616

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

Structural Information

Molecular Formula
C14H13Cl4NO2
SMILES
CCCCCCN1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C14H13Cl4NO2/c1-2-3-4-5-6-19-13(20)7-8(14(19)21)10(16)12(18)11(17)9(7)15/h2-6H2,1H3
InChIKey
PVYDPFXQCMGQTK-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrachloro-2-hexylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

366.97003 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.97731 176.2
[M+Na]+ 389.95925 190.5
[M+NH4]+ 385.00385 183.6
[M+K]+ 405.93319 183.1
[M-H]- 365.96275 176.5
[M+Na-2H]- 387.94470 178.8
[M]+ 366.96948 179.4
[M]- 366.97058 179.4
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

patents stripe