CID 191414

Ethyl 4-(benzyloxy)benzoate

Structural Information

Molecular Formula
C16H16O3
SMILES
CCOC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2
InChI
InChI=1S/C16H16O3/c1-2-18-16(17)14-8-10-15(11-9-14)19-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKey
UMOKJIWMQFEFJE-UHFFFAOYSA-N
Compound name
ethyl 4-phenylmethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

93
Patents

256.10995 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 158.2
[M+Na]+ 279.09917 164.8
[M-H]- 255.10267 164.7
[M+NH4]+ 274.14377 174.7
[M+K]+ 295.07311 162.0
[M+H-H2O]+ 239.10721 150.3
[M+HCOO]- 301.10815 181.8
[M+CH3COO]- 315.12380 194.6
[M+Na-2H]- 277.08462 163.2
[M]+ 256.10940 161.2
[M]- 256.11050 161.2
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