CID 8363

Benzyl salicylate

Structural Information

Molecular Formula
C14H12O3
SMILES
C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKey
ZCTQGTTXIYCGGC-UHFFFAOYSA-N
Compound name
benzyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

64
References

33266
Patents

228.07864 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08592 150.2
[M+Na]+ 251.06786 164.3
[M+NH4]+ 246.11246 158.4
[M+K]+ 267.04180 157.3
[M-H]- 227.07136 153.9
[M+Na-2H]- 249.05331 159.3
[M]+ 228.07809 153.2
[M]- 228.07919 153.2
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