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
8
Annotation Hits

64
References

35520
Patents

228.07864 Da
Monoisotopic Mass

3.2
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

patents stripe