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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.090996 141.5
[M+Na]+ 223.072938 150.9
[M-H]- 199.076444 149.6
[M+NH4]+ 218.117543 161.6
[M+K]+ 239.046878 148.9
[M+H-H2O]+ 183.080980 135.6
[M+HCOO]- 245.081921 166.9
[M+CH3COO]- 259.097571 184.4
[M+Na-2H]- 221.058386 147.3
[M]+ 200.08317142 144.7
[M]- 200.08426858 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe