CID 7180

Benzyl 4-hydroxybenzoate

Structural Information

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

2D Structure

compound 2d structure
7
Annotation Hits

89
References

13542
Patents

228.07864 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08592 149.2
[M+Na]+ 251.06786 156.2
[M-H]- 227.07136 154.7
[M+NH4]+ 246.11246 166.2
[M+K]+ 267.04180 153.0
[M+H-H2O]+ 211.07590 142.0
[M+HCOO]- 273.07684 171.9
[M+CH3COO]- 287.09249 186.1
[M+Na-2H]- 249.05331 154.9
[M]+ 228.07809 149.6
[M]- 228.07919 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

patents stripe