CID 74078

1571-20-6

Structural Information

Molecular Formula
C20H25Cl4NO2
SMILES
CCCCCCCCCCCCN1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C20H25Cl4NO2/c1-2-3-4-5-6-7-8-9-10-11-12-25-19(26)13-14(20(25)27)16(22)18(24)17(23)15(13)21/h2-12H2,1H3
InChIKey
PVGSRFBCZFJQFT-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrachloro-2-dodecylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

451.06393 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.07121 206.2
[M+Na]+ 474.05315 215.9
[M-H]- 450.05665 205.5
[M+NH4]+ 469.09775 218.9
[M+K]+ 490.02709 207.1
[M+H-H2O]+ 434.06119 201.1
[M+HCOO]- 496.06213 204.6
[M+CH3COO]- 510.07778 231.2
[M+Na-2H]- 472.03860 199.6
[M]+ 451.06338 213.7
[M]- 451.06448 213.7
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