CID 51854

P-bromophenacyl phenoxyacetate

Structural Information

Molecular Formula
C16H13BrO4
SMILES
C1=CC=C(C=C1)OCC(=O)OCC(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C16H13BrO4/c17-13-8-6-12(7-9-13)15(18)10-21-16(19)11-20-14-4-2-1-3-5-14/h1-9H,10-11H2
InChIKey
ZWQQVIQRTFKJHI-UHFFFAOYSA-N
Compound name
[2-(4-bromophenyl)-2-oxoethyl] 2-phenoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.99973 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.00701 166.0
[M+Na]+ 370.98895 169.7
[M+NH4]+ 366.03355 169.6
[M+K]+ 386.96289 169.5
[M-H]- 346.99245 167.4
[M+Na-2H]- 368.97440 170.7
[M]+ 347.99918 165.7
[M]- 348.00028 165.7
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.