CID 14410

Decabromodiphenyl ether

Structural Information

Molecular Formula
C12Br10O
SMILES
C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br
InChI
InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22
InChIKey
WHHGLZMJPXIBIX-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

855
References

31548
Patents

949.1783 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 950.18558 141.2
[M+Na]+ 972.16752 146.3
[M-H]- 948.17102 143.0
[M+NH4]+ 967.21212 142.9
[M+K]+ 988.14146 142.4
[M+H-H2O]+ 932.17556 142.9
[M+HCOO]- 994.17650 142.2
[M+CH3COO]- 1008.1922 254.2
[M+Na-2H]- 970.15297 140.1
[M]+ 949.17775 143.1
[M]- 949.17885 143.1
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