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
2
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]+ 1048.185976 141.4
[M+Na]+ 1070.167918 146.6
[M-H]- 1046.171424 143.2
[M+NH4]+ 1065.212523 143.2
[M+K]+ 1086.141858 142.7
[M+H-H2O]+ 1030.175960 143.2
[M+HCOO]- 1092.176901 142.5
[M+CH3COO]- 1106.192551 254.2
[M+Na-2H]- 1068.153366 140.4
[M]+ 1047.17815142 143.4
[M]- 1047.17924858 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

patents stripe