CID 6436421

Bis(pentabromophenyl) fumarate

Structural Information

Molecular Formula
C16H2Br10O4
SMILES
C(=C/C(=O)OC1=C(C(=C(C(=C1Br)Br)Br)Br)Br)\C(=O)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br
InChI
InChI=1S/C16H2Br10O4/c17-5-7(19)11(23)15(12(24)8(5)20)29-3(27)1-2-4(28)30-16-13(25)9(21)6(18)10(22)14(16)26/h1-2H/b2-1+
InChIKey
DXPKDGZNZOIMJZ-OWOJBTEDSA-N
Compound name
bis(2,3,4,5,6-pentabromophenyl) (E)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1047.1787 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1048.1860 169.8
[M+Na]+ 1070.1679 169.8
[M+NH4]+ 1065.2125 169.8
[M+K]+ 1086.1419 169.8
[M-H]- 1046.1714 169.8
[M+Na-2H]- 1068.1534 169.8
[M]+ 1047.1782 169.8
[M]- 1047.1792 169.8
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.