CID 257688

Phenyl diphenylacetate

Structural Information

Molecular Formula
C20H16O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)OC3=CC=CC=C3
InChI
InChI=1S/C20H16O2/c21-20(22-18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19H
InChIKey
YKWNDAOEJQMLGH-UHFFFAOYSA-N
Compound name
phenyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

128
References

497
Patents

288.11502 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12230 168.0
[M+Na]+ 311.10424 172.8
[M-H]- 287.10774 176.9
[M+NH4]+ 306.14884 182.1
[M+K]+ 327.07818 168.4
[M+H-H2O]+ 271.11228 158.7
[M+HCOO]- 333.11322 190.1
[M+CH3COO]- 347.12887 179.0
[M+Na-2H]- 309.08969 172.7
[M]+ 288.11447 167.0
[M]- 288.11557 167.0
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