CID 13618740

(3-hydroxyphenyl)methyl benzoate

Structural Information

Molecular Formula
C14H12O3
SMILES
C1=CC=C(C=C1)C(=O)OCC2=CC(=CC=C2)O
InChI
InChI=1S/C14H12O3/c15-13-8-4-5-11(9-13)10-17-14(16)12-6-2-1-3-7-12/h1-9,15H,10H2
InChIKey
RNXDSUVYRWSRJD-UHFFFAOYSA-N
Compound name
(3-hydroxyphenyl)methyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.07864 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.085916 149.2
[M+Na]+ 251.067858 156.2
[M-H]- 227.071364 154.7
[M+NH4]+ 246.112463 166.2
[M+K]+ 267.041798 153.0
[M+H-H2O]+ 211.075900 142.0
[M+HCOO]- 273.076841 171.9
[M+CH3COO]- 287.092491 186.1
[M+Na-2H]- 249.053306 154.9
[M]+ 228.07809142 149.6
[M]- 228.07918858 149.6
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

No patent data available for this compound.