CID 13010663

5-phenoxyfuran-2-carbaldehyde

Structural Information

Molecular Formula
C11H8O3
SMILES
C1=CC=C(C=C1)OC2=CC=C(O2)C=O
InChI
InChI=1S/C11H8O3/c12-8-10-6-7-11(14-10)13-9-4-2-1-3-5-9/h1-8H
InChIKey
UKZZWIDZLLWLIL-UHFFFAOYSA-N
Compound name
5-phenoxyfuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

188.04735 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.054626 135.6
[M+Na]+ 211.036568 144.8
[M-H]- 187.040074 143.6
[M+NH4]+ 206.081173 155.7
[M+K]+ 227.010508 143.8
[M+H-H2O]+ 171.044610 129.6
[M+HCOO]- 233.045551 161.9
[M+CH3COO]- 247.061201 179.3
[M+Na-2H]- 209.022016 143.1
[M]+ 188.04680142 139.1
[M]- 188.04789858 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe