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

1161
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 160.8
[M+Na]+ 289.08352 166.0
[M-H]- 265.08702 166.9
[M+NH4]+ 284.12812 176.2
[M+K]+ 305.05746 162.8
[M+H-H2O]+ 249.09156 152.9
[M+HCOO]- 311.09250 182.4
[M+CH3COO]- 325.10815 196.6
[M+Na-2H]- 287.06897 163.6
[M]+ 266.09375 161.1
[M]- 266.09485 161.1
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