CID 37840

1,2-bis(2,4,6-tribromophenoxy)ethane

Structural Information

Molecular Formula
C14H8Br6O2
SMILES
C1=C(C=C(C(=C1Br)OCCOC2=C(C=C(C=C2Br)Br)Br)Br)Br
InChI
InChI=1S/C14H8Br6O2/c15-7-3-9(17)13(10(18)4-7)21-1-2-22-14-11(19)5-8(16)6-12(14)20/h3-6H,1-2H2
InChIKey
YATIGPZCMOYEGE-UHFFFAOYSA-N
Compound name
1,3,5-tribromo-2-[2-(2,4,6-tribromophenoxy)ethoxy]benzene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

72
References

2783
Patents

681.56244 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 682.569716 182.4
[M+Na]+ 704.551658 191.5
[M-H]- 680.555164 186.3
[M+NH4]+ 699.596263 187.9
[M+K]+ 720.525598 181.3
[M+H-H2O]+ 664.559700 196.3
[M+HCOO]- 726.560641 185.0
[M+CH3COO]- 740.576291 252.0
[M+Na-2H]- 702.537106 180.5
[M]+ 681.56189142 203.6
[M]- 681.56298858 203.6
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