CID 117088

Ethylenebis(pentabromophenyl carbonate)

Structural Information

Molecular Formula
C16H4Br10O6
SMILES
C(COC(=O)OC1=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC(=O)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br
InChI
InChI=1S/C16H4Br10O6/c17-3-5(19)9(23)13(10(24)6(3)20)31-15(27)29-1-2-30-16(28)32-14-11(25)7(21)4(18)8(22)12(14)26/h1-2H2
InChIKey
BCWNZDMTXZMXAB-UHFFFAOYSA-N
Compound name
2-(2,3,4,5,6-pentabromophenoxy)carbonyloxyethyl (2,3,4,5,6-pentabromophenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1081.1842 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1082.1915 141.4
[M+Na]+ 1104.1734 146.6
[M-H]- 1080.1769 143.2
[M+NH4]+ 1099.2180 143.2
[M+K]+ 1120.1474 142.6
[M+H-H2O]+ 1064.1815 143.2
[M+HCOO]- 1126.1824 142.5
[M+CH3COO]- 1140.1981 254.2
[M+Na-2H]- 1102.1589 140.3
[M]+ 1081.1837 143.4
[M]- 1081.1847 143.4
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

No patent data available for this compound.