CID 81804

2-(2,4,6-tribromophenoxy)ethyl acrylate

Structural Information

Molecular Formula
C11H9Br3O3
SMILES
C=CC(=O)OCCOC1=C(C=C(C=C1Br)Br)Br
InChI
InChI=1S/C11H9Br3O3/c1-2-10(15)16-3-4-17-11-8(13)5-7(12)6-9(11)14/h2,5-6H,1,3-4H2
InChIKey
AMBJXYFIMKHOQE-UHFFFAOYSA-N
Compound name
2-(2,4,6-tribromophenoxy)ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1174
Patents

425.81018 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.81746 149.4
[M+Na]+ 448.79940 157.1
[M-H]- 424.80290 154.8
[M+NH4]+ 443.84400 162.8
[M+K]+ 464.77334 141.8
[M+H-H2O]+ 408.80744 163.6
[M+HCOO]- 470.80838 159.3
[M+CH3COO]- 484.82403 226.5
[M+Na-2H]- 446.78485 153.3
[M]+ 425.80963 192.0
[M]- 425.81073 192.0
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