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

102
Patents

228.07864 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08592 150.2
[M+Na]+ 251.06786 164.2
[M+NH4]+ 246.11246 158.1
[M+K]+ 267.04180 157.7
[M-H]- 227.07136 153.5
[M+Na-2H]- 249.05331 158.5
[M]+ 228.07809 153.1
[M]- 228.07919 153.1
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