CID 7022245

685904-18-1

Structural Information

Molecular Formula

C₁₂H₁₀O₃

SMILES

C1=CC=C(C=C1)OCC2=CC=C(O2)C=O

InChI

InChI=1S/C12H10O3/c13-8-11-6-7-12(15-11)9-14-10-4-2-1-3-5-10/h1-8H,9H2

InChIKey

UEFQGYJMYZTWIJ-UHFFFAOYSA-N

Compound name

5-(phenoxymethyl)furan-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 202.06299 Da
Monoisotopic Mass: 2.3
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]+	203.07027	140.4
[M+Na]+	225.05221	149.1
[M-H]-	201.05571	148.2
[M+NH4]+	220.09681	159.9
[M+K]+	241.02615	147.9
[M+H-H2O]+	185.06025	134.2
[M+HCOO]-	247.06119	166.3
[M+CH3COO]-	261.07684	182.3
[M+Na-2H]-	223.03766	147.3
[M]+	202.06244	144.2
[M]-	202.06354	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe