CID 164721

Phenyl phenylacetate

Structural Information

Molecular Formula
C14H12O2
SMILES
C1=CC=C(C=C1)CC(=O)OC2=CC=CC=C2
InChI
InChI=1S/C14H12O2/c15-14(11-12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-10H,11H2
InChIKey
USVNNHYNCCJCCP-UHFFFAOYSA-N
Compound name
phenyl 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2426
Patents

212.08372 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.090996 146.0
[M+Na]+ 235.072938 152.6
[M-H]- 211.076444 152.5
[M+NH4]+ 230.117543 164.1
[M+K]+ 251.046878 149.7
[M+H-H2O]+ 195.080980 138.6
[M+HCOO]- 257.081921 170.0
[M+CH3COO]- 271.097571 185.5
[M+Na-2H]- 233.058386 152.8
[M]+ 212.08317142 146.5
[M]- 212.08426858 146.5
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