CID 62250

Tetrabromobisphenol a diglycidyl ether

Structural Information

Molecular Formula
C21H20Br4O4
SMILES
CC(C)(C1=CC(=C(C(=C1)Br)OCC2CO2)Br)C3=CC(=C(C(=C3)Br)OCC4CO4)Br
InChI
InChI=1S/C21H20Br4O4/c1-21(2,11-3-15(22)19(16(23)4-11)28-9-13-7-26-13)12-5-17(24)20(18(25)6-12)29-10-14-8-27-14/h3-6,13-14H,7-10H2,1-2H3
InChIKey
ZJRAAAWYHORFHN-UHFFFAOYSA-N
Compound name
2-[[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

2611
Patents

651.8095 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 652.81678 195.3
[M+Na]+ 674.79872 200.3
[M-H]- 650.80222 201.7
[M+NH4]+ 669.84332 198.1
[M+K]+ 690.77266 190.5
[M+H-H2O]+ 634.80676 209.1
[M+HCOO]- 696.80770 198.2
[M+CH3COO]- 710.82335 249.6
[M+Na-2H]- 672.78417 193.1
[M]+ 651.80895 229.7
[M]- 651.81005 229.7
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