CID 43155810

5-(4-ethylphenyl)furan-2-carbaldehyde

Structural Information

Molecular Formula

C₁₃H₁₂O₂

SMILES

CCC1=CC=C(C=C1)C2=CC=C(O2)C=O

InChI

InChI=1S/C13H12O2/c1-2-10-3-5-11(6-4-10)13-8-7-12(9-14)15-13/h3-9H,2H2,1H3

InChIKey

ZQSJYWFJKGXZIL-UHFFFAOYSA-N

Compound name

5-(4-ethylphenyl)furan-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 200.08372 Da
Monoisotopic Mass: 3.2
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]+	201.09100	142.6
[M+Na]+	223.07294	157.1
[M+NH4]+	218.11754	151.7
[M+K]+	239.04688	151.5
[M-H]-	199.07644	148.0
[M+Na-2H]-	221.05839	150.8
[M]+	200.08317	146.3
[M]-	200.08427	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe