CID 110014

Benzene, pentabromo(2-(tetrabromophenoxy)ethoxy)-

Structural Information

Molecular Formula
C14H5Br9O2
SMILES
C1=C(C(=C(C(=C1Br)Br)Br)Br)OCCOC2=C(C(=C(C(=C2Br)Br)Br)Br)Br
InChI
InChI=1S/C14H5Br9O2/c15-4-3-5(7(17)8(18)6(4)16)24-1-2-25-14-12(22)10(20)9(19)11(21)13(14)23/h3H,1-2H2
InChIKey
GFUDECFZQUUKCZ-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentabromo-6-[2-(2,3,4,5-tetrabromophenoxy)ethoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

915.294 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 916.30128 158.4
[M+Na]+ 938.28322 166.4
[M-H]- 914.28672 161.2
[M+NH4]+ 933.32782 161.2
[M+K]+ 954.25716 160.2
[M+H-H2O]+ 898.29126 161.8
[M+HCOO]- 960.29220 160.1
[M+CH3COO]- 974.30785 254.2
[M+Na-2H]- 936.26867 156.7
[M]+ 915.29345 162.4
[M]- 915.29455 162.4
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.