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

2772
Patents

681.56244 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 682.56972 182.4
[M+Na]+ 704.55166 191.5
[M-H]- 680.55516 186.3
[M+NH4]+ 699.59626 187.9
[M+K]+ 720.52560 181.3
[M+H-H2O]+ 664.55970 196.3
[M+HCOO]- 726.56064 185.0
[M+CH3COO]- 740.57629 252.0
[M+Na-2H]- 702.53711 180.5
[M]+ 681.56189 203.6
[M]- 681.56299 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.