CID 88314418

2,3-dibromopropyl-2,4,6-tribromophenyl ether

Structural Information

Molecular Formula
C18H12Br10O
SMILES
C1=C(C(=C(C(=C1Br)OC2=C(C=C(C(=C2Br)CC(CBr)Br)Br)Br)Br)CC(CBr)Br)Br
InChI
InChI=1S/C18H12Br10O/c19-5-7(21)1-9-11(23)3-13(25)17(15(9)27)29-18-14(26)4-12(24)10(16(18)28)2-8(22)6-20/h3-4,7-8H,1-2,5-6H2
InChIKey
ZSXGMNZLCKKFKQ-UHFFFAOYSA-N
Compound name
1,3,5-tribromo-2-(2,3-dibromopropyl)-4-[2,4,6-tribromo-3-(2,3-dibromopropyl)phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

16
Patents

1033.2722 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1034.2795 141.6
[M+Na]+ 1056.2614 146.7
[M-H]- 1032.2649 143.4
[M+NH4]+ 1051.3060 143.3
[M+K]+ 1072.2354 142.8
[M+H-H2O]+ 1016.2695 143.4
[M+HCOO]- 1078.2704 142.6
[M+CH3COO]- 1092.2861 254.2
[M+Na-2H]- 1054.2469 140.5
[M]+ 1033.2717 143.5
[M]- 1033.2727 143.5
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