CID 14512524

67887-47-2

Structural Information

Molecular Formula
C16Cl8N2O4
SMILES
C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)N(C2=O)N3C(=O)C4=C(C3=O)C(=C(C(=C4Cl)Cl)Cl)Cl
InChI
InChI=1S/C16Cl8N2O4/c17-5-1-2(6(18)10(22)9(5)21)14(28)25(13(1)27)26-15(29)3-4(16(26)30)8(20)12(24)11(23)7(3)19
InChIKey
JFEBIVJTGIPNKL-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrachloro-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

563.73663 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.74391 228.0
[M+Na]+ 586.72585 236.8
[M-H]- 562.72935 222.2
[M+NH4]+ 581.77045 233.3
[M+K]+ 602.69979 236.1
[M+H-H2O]+ 546.73389 222.7
[M+HCOO]- 608.73483 207.5
[M+CH3COO]- 622.75048 228.3
[M+Na-2H]- 584.71130 213.3
[M]+ 563.73608 222.7
[M]- 563.73718 222.7
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