CID 36183

N,n-ethylene-bis(tetrabromophthalimide)

Structural Information

Molecular Formula
C18H4Br8N2O4
SMILES
C(CN1C(=O)C2=C(C1=O)C(=C(C(=C2Br)Br)Br)Br)N3C(=O)C4=C(C3=O)C(=C(C(=C4Br)Br)Br)Br
InChI
InChI=1S/C18H4Br8N2O4/c19-7-3-4(8(20)12(24)11(7)23)16(30)27(15(3)29)1-2-28-17(31)5-6(18(28)32)10(22)14(26)13(25)9(5)21/h1-2H2
InChIKey
DYIZJUDNMOIZQO-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrabromo-2-[2-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)ethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

9606
Patents

943.36383 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 944.37111 171.9
[M+Na]+ 966.35305 181.8
[M-H]- 942.35655 175.4
[M+NH4]+ 961.39765 175.6
[M+K]+ 982.32699 173.9
[M+H-H2O]+ 926.36109 177.9
[M+HCOO]- 988.36203 174.0
[M+CH3COO]- 1002.3777 254.3
[M+Na-2H]- 964.33850 169.7
[M]+ 943.36328 179.1
[M]- 943.36438 179.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe