CID 111027

Benzeneacetic acid, 1-phenyl-1,2-ethanediyl ester

Structural Information

Molecular Formula
C24H22O4
SMILES
C1=CC=C(C=C1)CC(=O)OCC(C2=CC=CC=C2)OC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C24H22O4/c25-23(16-19-10-4-1-5-11-19)27-18-22(21-14-8-3-9-15-21)28-24(26)17-20-12-6-2-7-13-20/h1-15,22H,16-18H2
InChIKey
LLKYFSIQIWRHPU-UHFFFAOYSA-N
Compound name
[2-phenyl-2-(2-phenylacetyl)oxyethyl] 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

31
Patents

374.1518 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.15908 191.9
[M+Na]+ 397.14102 194.6
[M-H]- 373.14452 200.1
[M+NH4]+ 392.18562 202.1
[M+K]+ 413.11496 190.7
[M+H-H2O]+ 357.14906 181.4
[M+HCOO]- 419.15000 212.1
[M+CH3COO]- 433.16565 215.5
[M+Na-2H]- 395.12647 193.3
[M]+ 374.15125 193.6
[M]- 374.15235 193.6
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