CID 2756711

56216-10-5

Structural Information

Molecular Formula
C16H14O3
SMILES
COC(=O)CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H14O3/c1-19-16(18)11-15(17)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey
TYIZFWZJRSSQBB-UHFFFAOYSA-N
Compound name
methyl 3-oxo-3-(4-phenylphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

254.0943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10158 156.8
[M+Na]+ 277.08352 163.4
[M-H]- 253.08702 163.5
[M+NH4]+ 272.12812 173.3
[M+K]+ 293.05746 160.6
[M+H-H2O]+ 237.09156 149.2
[M+HCOO]- 299.09250 179.6
[M+CH3COO]- 313.10815 194.7
[M+Na-2H]- 275.06897 160.7
[M]+ 254.09375 158.5
[M]- 254.09485 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe