CID 2760260

Methyl 3-oxo-3-(4-phenoxyphenyl)propanoate

Structural Information

Molecular Formula
C16H14O4
SMILES
COC(=O)CC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2
InChI
InChI=1S/C16H14O4/c1-19-16(18)11-15(17)12-7-9-14(10-8-12)20-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey
PEWIJFVUPQVCKD-UHFFFAOYSA-N
Compound name
methyl 3-oxo-3-(4-phenoxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

270.0892 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 160.0
[M+Na]+ 293.07842 166.4
[M-H]- 269.08192 166.6
[M+NH4]+ 288.12302 175.7
[M+K]+ 309.05236 164.3
[M+H-H2O]+ 253.08646 152.0
[M+HCOO]- 315.08740 182.9
[M+CH3COO]- 329.10305 196.7
[M+Na-2H]- 291.06387 163.9
[M]+ 270.08865 163.1
[M]- 270.08975 163.1
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