CID 23290047

91442-24-9

Structural Information

Molecular Formula
C17H16O3
SMILES
C=CC(=O)OCCOC1=CC=CC=C1C2=CC=CC=C2
InChI
InChI=1S/C17H16O3/c1-2-17(18)20-13-12-19-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h2-11H,1,12-13H2
InChIKey
VAZQKPWSBFZARZ-UHFFFAOYSA-N
Compound name
2-(2-phenylphenoxy)ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2224
Patents

268.10995 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11723 161.6
[M+Na]+ 291.09917 168.0
[M-H]- 267.10267 167.9
[M+NH4]+ 286.14377 177.5
[M+K]+ 307.07311 164.4
[M+H-H2O]+ 251.10721 153.5
[M+HCOO]- 313.10815 185.0
[M+CH3COO]- 327.12380 196.8
[M+Na-2H]- 289.08462 166.1
[M]+ 268.10940 164.2
[M]- 268.11050 164.2
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