CID 86815

2-oxo-1,2-diphenylethyl acrylate

Structural Information

Molecular Formula
C17H14O3
SMILES
C=CC(=O)OC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H14O3/c1-2-15(18)20-17(14-11-7-4-8-12-14)16(19)13-9-5-3-6-10-13/h2-12,17H,1H2
InChIKey
MSMAPCFQRXQMRL-UHFFFAOYSA-N
Compound name
(2-oxo-1,2-diphenylethyl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1054
Patents

266.0943 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10158 161.0
[M+Na]+ 289.08352 174.0
[M+NH4]+ 284.12812 168.2
[M+K]+ 305.05746 167.3
[M-H]- 265.08702 164.1
[M+Na-2H]- 287.06897 169.3
[M]+ 266.09375 163.6
[M]- 266.09485 163.6
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

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