CID 682138

Ethyl 2-(2,4-dibromophenoxy)acetate

Structural Information

Molecular Formula
C10H10Br2O3
SMILES
CCOC(=O)COC1=C(C=C(C=C1)Br)Br
InChI
InChI=1S/C10H10Br2O3/c1-2-14-10(13)6-15-9-4-3-7(11)5-8(9)12/h3-5H,2,6H2,1H3
InChIKey
PUKHSXCWPAOOSE-UHFFFAOYSA-N
Compound name
ethyl 2-(2,4-dibromophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

335.89966 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.90694 147.8
[M+Na]+ 358.88888 158.3
[M-H]- 334.89238 154.5
[M+NH4]+ 353.93348 165.8
[M+K]+ 374.86282 143.7
[M+H-H2O]+ 318.89692 155.3
[M+HCOO]- 380.89786 163.8
[M+CH3COO]- 394.91351 207.9
[M+Na-2H]- 356.87433 153.7
[M]+ 335.89911 184.5
[M]- 335.90021 184.5
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.