CID 22594858

Diallyl diphenate

Structural Information

Molecular Formula
C20H18O4
SMILES
C=CCOC(=O)C1=CC=CC=C1C2=CC=CC=C2C(=O)OCC=C
InChI
InChI=1S/C20H18O4/c1-3-13-23-19(21)17-11-7-5-9-15(17)16-10-6-8-12-18(16)20(22)24-14-4-2/h3-12H,1-2,13-14H2
InChIKey
QMJUKLOOIAWREN-UHFFFAOYSA-N
Compound name
prop-2-enyl 2-(2-prop-2-enoxycarbonylphenyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

242
Patents

322.1205 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.127776 175.4
[M+Na]+ 345.109718 181.6
[M-H]- 321.113224 181.7
[M+NH4]+ 340.154323 189.1
[M+K]+ 361.083658 177.4
[M+H-H2O]+ 305.117760 167.0
[M+HCOO]- 367.118701 197.3
[M+CH3COO]- 381.134351 207.6
[M+Na-2H]- 343.095166 176.5
[M]+ 322.11995142 178.8
[M]- 322.12104858 178.8
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