CID 100907

Tetradecabromo-1,4-diphenoxybenzene

Structural Information

Molecular Formula
C18Br14O2
SMILES
C1(=C(C(=C(C(=C1Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br)Br)OC3=C(C(=C(C(=C3Br)Br)Br)Br)Br
InChI
InChI=1S/C18Br14O2/c19-1-3(21)7(25)15(8(26)4(1)22)33-17-11(29)13(31)18(14(32)12(17)30)34-16-9(27)5(23)2(20)6(24)10(16)28
InChIKey
YMIUHIAWWDYGGU-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentabromo-6-[2,3,5,6-tetrabromo-4-(2,3,4,5,6-pentabromophenoxy)phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

1424
Patents

1352.8466 Da
Monoisotopic Mass

14.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1353.8539 113.7
[M+Na]+ 1375.8358 113.9
[M-H]- 1351.8393 113.8
[M+NH4]+ 1370.8804 113.8
[M+K]+ 1391.8098 113.8
[M+H-H2O]+ 1335.8439 113.8
[M+HCOO]- 1397.8448 113.8
[M+CH3COO]- 1411.8605 113.8
[M+Na-2H]- 1373.8213 113.7
[M]+ 1352.8461 113.8
[M]- 1352.8471 113.8
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