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]+ 201.09100 141.5
[M+Na]+ 223.07294 150.9
[M-H]- 199.07644 149.6
[M+NH4]+ 218.11754 161.6
[M+K]+ 239.04688 148.9
[M+H-H2O]+ 183.08098 135.6
[M+HCOO]- 245.08192 166.9
[M+CH3COO]- 259.09757 184.4
[M+Na-2H]- 221.05839 147.3
[M]+ 200.08317 144.7
[M]- 200.08427 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