CID 75355612

4-hydroxy-1-benzofuran-6-carbaldehyde

Structural Information

Molecular Formula
C9H6O3
SMILES
C1=COC2=CC(=CC(=C21)O)C=O
InChI
InChI=1S/C9H6O3/c10-5-6-3-8(11)7-1-2-12-9(7)4-6/h1-5,11H
InChIKey
DVBCKDHIZDOANU-UHFFFAOYSA-N
Compound name
4-hydroxy-1-benzofuran-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.0317 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.03898 127.6
[M+Na]+ 185.02092 141.8
[M+NH4]+ 180.06552 136.6
[M+K]+ 200.99486 137.8
[M-H]- 161.02442 130.7
[M+Na-2H]- 183.00637 134.0
[M]+ 162.03115 130.5
[M]- 162.03225 130.5
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

No patent data available for this compound.