CID 569774

2-oxo-2-phenylethyl 4-bromobenzoate

Structural Information

Molecular Formula
C15H11BrO3
SMILES
C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C15H11BrO3/c16-13-8-6-12(7-9-13)15(18)19-10-14(17)11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
QNLZQYLZCOCBLV-UHFFFAOYSA-N
Compound name
phenacyl 4-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

317.98917 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.99645 163.1
[M+Na]+ 340.97839 172.7
[M-H]- 316.98189 172.0
[M+NH4]+ 336.02299 180.6
[M+K]+ 356.95233 161.9
[M+H-H2O]+ 300.98643 161.9
[M+HCOO]- 362.98737 183.5
[M+CH3COO]- 377.00302 200.8
[M+Na-2H]- 338.96384 168.3
[M]+ 317.98862 182.9
[M]- 317.98972 182.9
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

patents stripe