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: 19
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]+	203.070266	140.4
[M+Na]+	225.052208	149.1
[M-H]-	201.055714	148.2
[M+NH4]+	220.096813	159.9
[M+K]+	241.026148	147.9
[M+H-H2O]+	185.060250	134.2
[M+HCOO]-	247.061191	166.3
[M+CH3COO]-	261.076841	182.3
[M+Na-2H]-	223.037656	147.3
[M]+	202.06244142	144.2
[M]-	202.06353858	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe