CID 3015131

22535-49-5

Structural Information

Molecular Formula
C16H12O3
SMILES
C=CC(=O)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H12O3/c1-2-15(17)19-14-10-8-13(9-11-14)16(18)12-6-4-3-5-7-12/h2-11H,1H2
InChIKey
LTYBJDPMCPTGEE-UHFFFAOYSA-N
Compound name
(4-benzoylphenyl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2967
Patents

252.07864 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08592 155.5
[M+Na]+ 275.06786 162.4
[M-H]- 251.07136 162.1
[M+NH4]+ 270.11246 171.9
[M+K]+ 291.04180 158.9
[M+H-H2O]+ 235.07590 147.9
[M+HCOO]- 297.07684 178.4
[M+CH3COO]- 311.09249 193.8
[M+Na-2H]- 273.05331 159.4
[M]+ 252.07809 156.5
[M]- 252.07919 156.5
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