CID 3023844

Ethyl bis(3,5-dibromo-4-hydroxyphenyl)acetate

Structural Information

Molecular Formula
C16H12Br4O4
SMILES
CCOC(=O)C(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br
InChI
InChI=1S/C16H12Br4O4/c1-2-24-16(23)13(7-3-9(17)14(21)10(18)4-7)8-5-11(19)15(22)12(20)6-8/h3-6,13,21-22H,2H2,1H3
InChIKey
XOOQSZKRNMZVKK-UHFFFAOYSA-N
Compound name
ethyl 2,2-bis(3,5-dibromo-4-hydroxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

583.7469 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.75418 171.0
[M+Na]+ 606.73612 175.3
[M-H]- 582.73962 174.8
[M+NH4]+ 601.78072 178.4
[M+K]+ 622.71006 162.7
[M+H-H2O]+ 566.74416 187.8
[M+HCOO]- 628.74510 174.4
[M+CH3COO]- 642.76075 243.4
[M+Na-2H]- 604.72157 170.1
[M]+ 583.74635 209.5
[M]- 583.74745 209.5
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.