CID 213099

Furfuryl salicylate

Structural Information

Molecular Formula

C₁₂H₁₀O₄

SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC=CO2)O

InChI

InChI=1S/C12H10O4/c13-11-6-2-1-5-10(11)12(14)16-8-9-4-3-7-15-9/h1-7,13H,8H2

InChIKey

WQSJTSNGSFMBSG-UHFFFAOYSA-N

Compound name

furan-2-ylmethyl 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 218.0579 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.065176	144.7
[M+Na]+	241.047118	152.5
[M-H]-	217.050624	151.3
[M+NH4]+	236.091723	162.7
[M+K]+	257.021058	151.5
[M+H-H2O]+	201.055160	138.5
[M+HCOO]-	263.056101	168.3
[M+CH3COO]-	277.071751	182.0
[M+Na-2H]-	239.032566	149.9
[M]+	218.05735142	147.4
[M]-	218.05844858	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe