CID 198261

Methyl 3-phenoxybenzoate

Structural Information

Molecular Formula
C14H12O3
SMILES
COC(=O)C1=CC(=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C14H12O3/c1-16-14(15)11-6-5-9-13(10-11)17-12-7-3-2-4-8-12/h2-10H,1H3
InChIKey
GWNMDCSPTJONPD-UHFFFAOYSA-N
Compound name
methyl 3-phenoxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

74
Patents

228.07864 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.085916 148.7
[M+Na]+ 251.067858 156.2
[M-H]- 227.071364 155.7
[M+NH4]+ 246.112463 166.5
[M+K]+ 267.041798 154.0
[M+H-H2O]+ 211.075900 141.3
[M+HCOO]- 273.076841 173.0
[M+CH3COO]- 287.092491 188.6
[M+Na-2H]- 249.053306 154.9
[M]+ 228.07809142 151.1
[M]- 228.07918858 151.1
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