CID 22256263

5-benzyl-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C14H12O3
SMILES
C1=CC=C(C=C1)CC2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C14H12O3/c15-13-7-6-11(9-12(13)14(16)17)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2,(H,16,17)
InChIKey
AFIMKCDXMUVHON-UHFFFAOYSA-N
Compound name
5-benzyl-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

115
Patents

228.07864 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.085916 148.9
[M+Na]+ 251.067858 156.4
[M-H]- 227.071364 153.4
[M+NH4]+ 246.112463 165.5
[M+K]+ 267.041798 152.4
[M+H-H2O]+ 211.075900 142.3
[M+HCOO]- 273.076841 170.2
[M+CH3COO]- 287.092491 185.4
[M+Na-2H]- 249.053306 153.5
[M]+ 228.07809142 148.1
[M]- 228.07918858 148.1
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