CID 33358

Brn 1884300

Structural Information

Molecular Formula
C10H9Br3O3
SMILES
CCOC(=O)COC1=C(C=C(C=C1Br)Br)Br
InChI
InChI=1S/C10H9Br3O3/c1-2-15-9(14)5-16-10-7(12)3-6(11)4-8(10)13/h3-4H,2,5H2,1H3
InChIKey
RXORLAYFBHDJAA-UHFFFAOYSA-N
Compound name
ethyl 2-(2,4,6-tribromophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.81018 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.81746 147.6
[M+Na]+ 436.79940 155.4
[M-H]- 412.80290 153.1
[M+NH4]+ 431.84400 161.3
[M+K]+ 452.77334 140.5
[M+H-H2O]+ 396.80744 161.8
[M+HCOO]- 458.80838 157.6
[M+CH3COO]- 472.82403 225.3
[M+Na-2H]- 434.78485 151.7
[M]+ 413.80963 190.3
[M]- 413.81073 190.3
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.