CID 118469

Decabromodiphenyl carbonate

Structural Information

Molecular Formula
C13Br10O3
SMILES
C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC(=O)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br
InChI
InChI=1S/C13Br10O3/c14-1-3(16)7(20)11(8(21)4(1)17)25-13(24)26-12-9(22)5(18)2(15)6(19)10(12)23
InChIKey
GLMRCTIBJCEHLX-UHFFFAOYSA-N
Compound name
bis(2,3,4,5,6-pentabromophenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

993.1681 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 994.17538 141.3
[M+Na]+ 1016.1573 146.5
[M-H]- 992.16082 143.1
[M+NH4]+ 1011.2019 143.1
[M+K]+ 1032.1313 142.5
[M+H-H2O]+ 976.16536 143.1
[M+HCOO]- 1038.1663 142.4
[M+CH3COO]- 1052.1820 254.2
[M+Na-2H]- 1014.1428 140.2
[M]+ 993.16755 143.3
[M]- 993.16865 143.3
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